Filters
| Subject Class | Chemical Group | ISRP Name | ISRP CompoundID | EPA Congener Number | Molecular Formula | MeO Pattern | Chlorine Pattern | Hydroxyl Pattern | Sulfate Pattern | MolFilePath | SDFilePath | CAS Registry Number SubjectScheme | CAS Registry Number SubjectSchemeURI | CAS Registry Number | CAS Registry Number TermURI | DSSTox Substance ID SubjectScheme | DSSTox Substance ID | DSSTox SubstanceID TermURI | InChIKey SubjectScheme | InChIKey SchemeURI | InChI Key | InChIKey TermURI | IUPAC SubjectScheme | IUPAC Name SchemeURI | IUPAC Name | PubChem CID SubjectScheme | PubChem CID SubjectSchemeURI | PubChem CID | PubChem CID TermURI | Canonical SMILES SubjectScheme | Canonical SMILES SchemeURI | Canonical SMILES |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ChemicalSubstances | Polychlorinated biphenyls | PCB 1 | 1 | C12H9Cl | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2051-60-7 | https://commonchemistry.cas.org/detail?cas_rn=2051-60-7 | DSSTox Substance ID | DTXSID6040298 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6040298 | InChIKey | https://registry.identifiers.org/registry/inchikey | LAXBNTIAOJWAOP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LAXBNTIAOJWAOP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2-Chloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 249266 | https://pubchem.ncbi.nlm.nih.gov/compound/249266 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC=CC=C2Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 2 | 2 | C12H9Cl | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2051-61-8 | https://commonchemistry.cas.org/detail?cas_rn=2051-61-8 | DSSTox Substance ID | DTXSID1040299 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1040299 | InChIKey | https://registry.identifiers.org/registry/inchikey | NMWSKOLWZZWHPL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/NMWSKOLWZZWHPL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3-Chloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 16322 | https://pubchem.ncbi.nlm.nih.gov/compound/16322 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC(=CC=C2)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 3 | 3 | C12H9Cl | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2051-62-9 | https://commonchemistry.cas.org/detail?cas_rn=2051-62-9 | DSSTox Substance ID | DTXSID3040300 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3040300 | InChIKey | https://registry.identifiers.org/registry/inchikey | FPWNLURCHDRMHC-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/FPWNLURCHDRMHC-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 4-Chloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 16323 | https://pubchem.ncbi.nlm.nih.gov/compound/16323 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC=C(C=C2)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 4 | 4 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 13029-08-8 | https://commonchemistry.cas.org/detail?cas_rn=13029-08-8 | DSSTox Substance ID | DTXSID4044533 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4044533 | InChIKey | https://registry.identifiers.org/registry/inchikey | JAYCNKDKIKZTAF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JAYCNKDKIKZTAF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2'-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 25622 | https://pubchem.ncbi.nlm.nih.gov/compound/25622 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC=CC=C2Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 5 | 5 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 16605-91-7 | https://commonchemistry.cas.org/detail?cas_rn=16605-91-7 | DSSTox Substance ID | DTXSID0073409 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0073409 | InChIKey | https://registry.identifiers.org/registry/inchikey | XOMKZKJEJBZBJJ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XOMKZKJEJBZBJJ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 27959 | https://pubchem.ncbi.nlm.nih.gov/compound/27959 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C(=CC=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 6 | 6 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 25569-80-6 | https://commonchemistry.cas.org/detail?cas_rn=25569-80-6 | DSSTox Substance ID | DTXSID3074024 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074024 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZHBBDTRJIVXKEX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZHBBDTRJIVXKEX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3'-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 33100 | https://pubchem.ncbi.nlm.nih.gov/compound/33100 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC(=CC=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 7 | 7 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33284-50-3 | https://commonchemistry.cas.org/detail?cas_rn=33284-50-3 | DSSTox Substance ID | DTXSID8040301 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8040301 | InChIKey | https://registry.identifiers.org/registry/inchikey | WEJZHZJJXPXXMU-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WEJZHZJJXPXXMU-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36399 | https://pubchem.ncbi.nlm.nih.gov/compound/36399 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 8 | 8 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 34883-43-7 | https://commonchemistry.cas.org/detail?cas_rn=34883-43-7 | DSSTox Substance ID | DTXSID0022511 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0022511 | InChIKey | https://registry.identifiers.org/registry/inchikey | UFNIBRDIUNVOMX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UFNIBRDIUNVOMX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4'-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36982 | https://pubchem.ncbi.nlm.nih.gov/compound/36982 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 9 | 9 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 34883-39-1 | https://commonchemistry.cas.org/detail?cas_rn=34883-39-1 | DSSTox Substance ID | DTXSID7073480 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7073480 | InChIKey | https://registry.identifiers.org/registry/inchikey | KKQWHYGECTYFIA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/KKQWHYGECTYFIA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,5-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36980 | https://pubchem.ncbi.nlm.nih.gov/compound/36980 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 10 | 10 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33146-45-1 | https://commonchemistry.cas.org/detail?cas_rn=33146-45-1 | DSSTox Substance ID | DTXSID7038313 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7038313 | InChIKey | https://registry.identifiers.org/registry/inchikey | IYZWUWBAFUBNCH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/IYZWUWBAFUBNCH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,6-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36342 | https://pubchem.ncbi.nlm.nih.gov/compound/36342 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 11 | 11 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2050-67-1 | https://commonchemistry.cas.org/detail?cas_rn=2050-67-1 | DSSTox Substance ID | DTXSID70872817 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID70872817 | InChIKey | https://registry.identifiers.org/registry/inchikey | KTXUOWUHFLBZPW-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/KTXUOWUHFLBZPW-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3'-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 16307 | https://pubchem.ncbi.nlm.nih.gov/compound/16307 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=CC(=CC=C2)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 12 | 12 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2974-92-7 | https://commonchemistry.cas.org/detail?cas_rn=2974-92-7 | DSSTox Substance ID | DTXSID6073310 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6073310 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZGHQUYZPMWMLBM-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZGHQUYZPMWMLBM-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,4-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 18102 | https://pubchem.ncbi.nlm.nih.gov/compound/18102 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 13 | 13 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2974-90-5 | https://commonchemistry.cas.org/detail?cas_rn=2974-90-5 | DSSTox Substance ID | DTXSID10863067 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID10863067 | InChIKey | https://registry.identifiers.org/registry/inchikey | CJDNEKOMKXLSBN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CJDNEKOMKXLSBN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,4'-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 18101 | https://pubchem.ncbi.nlm.nih.gov/compound/18101 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=CC=C(C=C2)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 14 | 14 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 34883-41-5 | https://commonchemistry.cas.org/detail?cas_rn=34883-41-5 | DSSTox Substance ID | DTXSID5074137 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074137 | InChIKey | https://registry.identifiers.org/registry/inchikey | QHZSDTDMQZPUKC-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QHZSDTDMQZPUKC-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,5-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36981 | https://pubchem.ncbi.nlm.nih.gov/compound/36981 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 15 | 15 | C12H8Cl2 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2050-68-2 | https://commonchemistry.cas.org/detail?cas_rn=2050-68-2 | DSSTox Substance ID | DTXSID0022515 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0022515 | InChIKey | https://registry.identifiers.org/registry/inchikey | YTBRNEUEFCNVHC-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YTBRNEUEFCNVHC-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 4,4'-Dichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 16308 | https://pubchem.ncbi.nlm.nih.gov/compound/16308 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=CC=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 16 | 16 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-78-9 | https://commonchemistry.cas.org/detail?cas_rn=38444-78-9 | DSSTox Substance ID | DTXSID3073501 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3073501 | InChIKey | https://registry.identifiers.org/registry/inchikey | XVIZMMSINIOIQP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XVIZMMSINIOIQP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38032 | https://pubchem.ncbi.nlm.nih.gov/compound/38032 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C(=CC=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 17 | 17 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 37680-66-3 | https://commonchemistry.cas.org/detail?cas_rn=37680-66-3 | DSSTox Substance ID | DTXSID1073492 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1073492 | InChIKey | https://registry.identifiers.org/registry/inchikey | YKKYCYQDUUXNLN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YKKYCYQDUUXNLN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37804 | https://pubchem.ncbi.nlm.nih.gov/compound/37804 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 18 | 18 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 37680-65-2 | https://commonchemistry.cas.org/detail?cas_rn=37680-65-2 | DSSTox Substance ID | DTXSID6073491 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6073491 | InChIKey | https://registry.identifiers.org/registry/inchikey | DCMURXAZTZQAFB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/DCMURXAZTZQAFB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37803 | https://pubchem.ncbi.nlm.nih.gov/compound/37803 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 19 | 19 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-73-4 | https://commonchemistry.cas.org/detail?cas_rn=38444-73-4 | DSSTox Substance ID | DTXSID9074777 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074777 | InChIKey | https://registry.identifiers.org/registry/inchikey | MVXIJRBBCDLNLX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MVXIJRBBCDLNLX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',6-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38029 | https://pubchem.ncbi.nlm.nih.gov/compound/38029 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C=CC=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 20 | 20 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-84-7 | https://commonchemistry.cas.org/detail?cas_rn=38444-84-7 | DSSTox Substance ID | DTXSID8073502 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8073502 | InChIKey | https://registry.identifiers.org/registry/inchikey | SXHLTVKPNQVZGL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SXHLTVKPNQVZGL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3'-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38034 | https://pubchem.ncbi.nlm.nih.gov/compound/38034 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 21 | 21 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 55702-46-0 | https://commonchemistry.cas.org/detail?cas_rn=55702-46-0 | DSSTox Substance ID | DTXSID0074180 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074180 | InChIKey | https://registry.identifiers.org/registry/inchikey | IUYHQGMDSZOPDZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/IUYHQGMDSZOPDZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 41541 | https://pubchem.ncbi.nlm.nih.gov/compound/41541 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 22 | 22 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-85-8 | https://commonchemistry.cas.org/detail?cas_rn=38444-85-8 | DSSTox Substance ID | DTXSID7091549 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7091549 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZMHWQAHZKUPENF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZMHWQAHZKUPENF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4'-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38035 | https://pubchem.ncbi.nlm.nih.gov/compound/38035 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=CC=C(C=C2)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 23 | 23 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 55720-44-0 | https://commonchemistry.cas.org/detail?cas_rn=55720-44-0 | DSSTox Substance ID | DTXSID0074182 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074182 | InChIKey | https://registry.identifiers.org/registry/inchikey | GBUCDGDROYMOAN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GBUCDGDROYMOAN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 41555 | https://pubchem.ncbi.nlm.nih.gov/compound/41555 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 24 | 24 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 55702-45-9 | https://commonchemistry.cas.org/detail?cas_rn=55702-45-9 | DSSTox Substance ID | DTXSID3073557 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3073557 | InChIKey | https://registry.identifiers.org/registry/inchikey | LVROLHVSYNLFBE-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LVROLHVSYNLFBE-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,6-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 41540 | https://pubchem.ncbi.nlm.nih.gov/compound/41540 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C=CC(=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 25 | 25 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 55712-37-3 | https://commonchemistry.cas.org/detail?cas_rn=55712-37-3 | DSSTox Substance ID | DTXSID5074181 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074181 | InChIKey | https://registry.identifiers.org/registry/inchikey | XBBZAULFUPBZSP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XBBZAULFUPBZSP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 41551 | https://pubchem.ncbi.nlm.nih.gov/compound/41551 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 26 | 26 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-81-4 | https://commonchemistry.cas.org/detail?cas_rn=38444-81-4 | DSSTox Substance ID | DTXSID4074778 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074778 | InChIKey | https://registry.identifiers.org/registry/inchikey | ONNCPBRWFSKDMQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ONNCPBRWFSKDMQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38033 | https://pubchem.ncbi.nlm.nih.gov/compound/38033 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 27 | 27 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-76-7 | https://commonchemistry.cas.org/detail?cas_rn=38444-76-7 | DSSTox Substance ID | DTXSID9074143 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074143 | InChIKey | https://registry.identifiers.org/registry/inchikey | VQOFJPFYTCHPTR-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VQOFJPFYTCHPTR-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',6-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38030 | https://pubchem.ncbi.nlm.nih.gov/compound/38030 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C=CC=C2Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 28 | 28 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 7012-37-5 | https://commonchemistry.cas.org/detail?cas_rn=7012-37-5 | DSSTox Substance ID | DTXSID2038310 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2038310 | InChIKey | https://registry.identifiers.org/registry/inchikey | BZTYNSQSZHARAZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BZTYNSQSZHARAZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4,4'-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 23448 | https://pubchem.ncbi.nlm.nih.gov/compound/23448 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 29 | 29 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 15862-07-4 | https://commonchemistry.cas.org/detail?cas_rn=15862-07-4 | DSSTox Substance ID | DTXSID0073405 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0073405 | InChIKey | https://registry.identifiers.org/registry/inchikey | VGVIKVCCUATMNG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VGVIKVCCUATMNG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4,5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 27514 | https://pubchem.ncbi.nlm.nih.gov/compound/27514 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC(=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Siloxanes | L5 | Dodecamethylpentasiloxane | 0 | C12H36O4Si5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 141-63-9 | https://commonchemistry.cas.org/detail?cas_rn=141-63-9 | DSSTox Substance ID | DTXSID1044803 | https://comptox.epa.gov/dashboard/chemical/details/DTXSID1044803 | InChIKey | https://registry.identifiers.org/registry/inchikey | FBZANXDWQAVSTQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/FBZANXDWQAVSTQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | bis[[dimethyl(trimethylsilyloxy)silyl]oxy]-dimethylsilane | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 8853 | https://pubchem.ncbi.nlm.nih.gov/compound/8853 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C | ||||||
| ChemicalSubstances | Siloxanes | L7 | Hexadecamethylheptasiloxane | 0 | C16H48O6Si7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 541-01-5 | https://commonchemistry.cas.org/detail?cas_rn=541-01-5 | DSSTox Substance ID | DTXSID8060242 | https://comptox.epa.gov/dashboard/chemical/details/DTXSID8060242 | InChIKey | https://registry.identifiers.org/registry/inchikey | NFVSFLUJRHRSJG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/NFVSFLUJRHRSJG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | bis[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy]-dimethylsilane | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 10912 | https://pubchem.ncbi.nlm.nih.gov/compound/10912 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C | ||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 30 | 30 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35693-92-6 | https://commonchemistry.cas.org/detail?cas_rn=35693-92-6 | DSSTox Substance ID | DTXSID7073482 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7073482 | InChIKey | https://registry.identifiers.org/registry/inchikey | MTLMVEWEYZFYTH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MTLMVEWEYZFYTH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4,6-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37247 | https://pubchem.ncbi.nlm.nih.gov/compound/37247 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 31 | 31 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 16606-02-3 | https://commonchemistry.cas.org/detail?cas_rn=16606-02-3 | DSSTox Substance ID | DTXSID9073410 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9073410 | InChIKey | https://registry.identifiers.org/registry/inchikey | VAHKBZSAUKPEOV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VAHKBZSAUKPEOV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4',5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 27960 | https://pubchem.ncbi.nlm.nih.gov/compound/27960 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 32 | 32 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-77-8 | https://commonchemistry.cas.org/detail?cas_rn=38444-77-8 | DSSTox Substance ID | DTXSID8073500 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8073500 | InChIKey | https://registry.identifiers.org/registry/inchikey | IHIDFKLAWYPTKB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/IHIDFKLAWYPTKB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4',6-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38031 | https://pubchem.ncbi.nlm.nih.gov/compound/38031 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=CC=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 33 | 33 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-86-9 | https://commonchemistry.cas.org/detail?cas_rn=38444-86-9 | DSSTox Substance ID | DTXSID8040303 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8040303 | InChIKey | https://registry.identifiers.org/registry/inchikey | RIMXLXBUOQMDHV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RIMXLXBUOQMDHV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4'-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38036 | https://pubchem.ncbi.nlm.nih.gov/compound/38036 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC(=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 34 | 34 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 37680-68-5 | https://commonchemistry.cas.org/detail?cas_rn=37680-68-5 | DSSTox Substance ID | DTXSID4074140 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074140 | InChIKey | https://registry.identifiers.org/registry/inchikey | GXVMAQACUOSFJF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GXVMAQACUOSFJF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',5'-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37805 | https://pubchem.ncbi.nlm.nih.gov/compound/37805 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 35 | 35 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 37680-69-6 | https://commonchemistry.cas.org/detail?cas_rn=37680-69-6 | DSSTox Substance ID | DTXSID60865879 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID60865879 | InChIKey | https://registry.identifiers.org/registry/inchikey | JHBVPKZLIBDTJR-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JHBVPKZLIBDTJR-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',4-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37806 | https://pubchem.ncbi.nlm.nih.gov/compound/37806 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=CC(=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 36 | 36 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-87-0 | https://commonchemistry.cas.org/detail?cas_rn=38444-87-0 | DSSTox Substance ID | DTXSID50858937 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID50858937 | InChIKey | https://registry.identifiers.org/registry/inchikey | RIBGNAJQTOXRDK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RIBGNAJQTOXRDK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38037 | https://pubchem.ncbi.nlm.nih.gov/compound/38037 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 37 | 37 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-90-5 | https://commonchemistry.cas.org/detail?cas_rn=38444-90-5 | DSSTox Substance ID | DTXSID00865914 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID00865914 | InChIKey | https://registry.identifiers.org/registry/inchikey | YZANRISAORXTHU-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YZANRISAORXTHU-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,4,4'-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38039 | https://pubchem.ncbi.nlm.nih.gov/compound/38039 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=CC(=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 38 | 38 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 53555-66-1 | https://commonchemistry.cas.org/detail?cas_rn=53555-66-1 | DSSTox Substance ID | DTXSID6074176 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074176 | InChIKey | https://registry.identifiers.org/registry/inchikey | BSFZSQRJGZHMMV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BSFZSQRJGZHMMV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,4,5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63099 | https://pubchem.ncbi.nlm.nih.gov/compound/63099 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC(=C(C(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 39 | 39 | C12H7Cl3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-88-1 | https://commonchemistry.cas.org/detail?cas_rn=38444-88-1 | DSSTox Substance ID | DTXSID40865913 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID40865913 | InChIKey | https://registry.identifiers.org/registry/inchikey | SYSBNFJJSJLZMM-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SYSBNFJJSJLZMM-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,4',5-Trichloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38038 | https://pubchem.ncbi.nlm.nih.gov/compound/38038 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=CC(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 40 | 40 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38444-93-8 | https://commonchemistry.cas.org/detail?cas_rn=38444-93-8 | DSSTox Substance ID | DTXSID3073503 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3073503 | InChIKey | https://registry.identifiers.org/registry/inchikey | VTLYHLREPCPDKX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VTLYHLREPCPDKX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38040 | https://pubchem.ncbi.nlm.nih.gov/compound/38040 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 41 | 41 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-59-9 | https://commonchemistry.cas.org/detail?cas_rn=52663-59-9 | DSSTox Substance ID | DTXSID5073535 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5073535 | InChIKey | https://registry.identifiers.org/registry/inchikey | SEWHDNLIHDBVDZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SEWHDNLIHDBVDZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40467 | https://pubchem.ncbi.nlm.nih.gov/compound/40467 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 42 | 42 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 36559-22-5 | https://commonchemistry.cas.org/detail?cas_rn=36559-22-5 | DSSTox Substance ID | DTXSID80873557 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID80873557 | InChIKey | https://registry.identifiers.org/registry/inchikey | ALFHIHDQSYXSGP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ALFHIHDQSYXSGP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63103 | https://pubchem.ncbi.nlm.nih.gov/compound/63103 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 43 | 43 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70362-46-8 | https://commonchemistry.cas.org/detail?cas_rn=70362-46-8 | DSSTox Substance ID | DTXSID00867918 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID00867918 | InChIKey | https://registry.identifiers.org/registry/inchikey | NRBNBYFPJCCKTO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/NRBNBYFPJCCKTO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 613387 | https://pubchem.ncbi.nlm.nih.gov/compound/613387 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 44 | 44 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-39-5 | https://commonchemistry.cas.org/detail?cas_rn=41464-39-5 | DSSTox Substance ID | DTXSID8038302 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8038302 | InChIKey | https://registry.identifiers.org/registry/inchikey | ALDJIKXAHSDLLB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ALDJIKXAHSDLLB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38875 | https://pubchem.ncbi.nlm.nih.gov/compound/38875 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 45 | 45 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70362-45-7 | https://commonchemistry.cas.org/detail?cas_rn=70362-45-7 | DSSTox Substance ID | DTXSID9074779 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074779 | InChIKey | https://registry.identifiers.org/registry/inchikey | VHGHHZZTMJLTJX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VHGHHZZTMJLTJX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63108 | https://pubchem.ncbi.nlm.nih.gov/compound/63108 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 46 | 46 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-47-5 | https://commonchemistry.cas.org/detail?cas_rn=41464-47-5 | DSSTox Substance ID | DTXSID40866046 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID40866046 | InChIKey | https://registry.identifiers.org/registry/inchikey | CUGLICQCTXWQNF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CUGLICQCTXWQNF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,6'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 521055 | https://pubchem.ncbi.nlm.nih.gov/compound/521055 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC=C2Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 47 | 47 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2437-79-8 | https://commonchemistry.cas.org/detail?cas_rn=2437-79-8 | DSSTox Substance ID | DTXSID0022513 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0022513 | InChIKey | https://registry.identifiers.org/registry/inchikey | QORAVNMWUNPXAO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QORAVNMWUNPXAO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,4'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 17097 | https://pubchem.ncbi.nlm.nih.gov/compound/17097 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 48 | 48 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70362-47-9 | https://commonchemistry.cas.org/detail?cas_rn=70362-47-9 | DSSTox Substance ID | DTXSID6074207 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074207 | InChIKey | https://registry.identifiers.org/registry/inchikey | XBTHILIDLBPRPM-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XBTHILIDLBPRPM-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 51041 | https://pubchem.ncbi.nlm.nih.gov/compound/51041 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 49 | 49 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-40-8 | https://commonchemistry.cas.org/detail?cas_rn=41464-40-8 | DSSTox Substance ID | DTXSID8073508 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8073508 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZWPVHELAQPIZHO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZWPVHELAQPIZHO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38876 | https://pubchem.ncbi.nlm.nih.gov/compound/38876 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 50 | 50 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 62796-65-0 | https://commonchemistry.cas.org/detail?cas_rn=62796-65-0 | DSSTox Substance ID | DTXSID4074194 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074194 | InChIKey | https://registry.identifiers.org/registry/inchikey | VLLVVZDKBSYMCG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VLLVVZDKBSYMCG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 44163 | https://pubchem.ncbi.nlm.nih.gov/compound/44163 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 51 | 51 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-04-7 | https://commonchemistry.cas.org/detail?cas_rn=68194-04-7 | DSSTox Substance ID | DTXSID9074195 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074195 | InChIKey | https://registry.identifiers.org/registry/inchikey | WVHNUGRFECMVLQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WVHNUGRFECMVLQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,6'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63106 | https://pubchem.ncbi.nlm.nih.gov/compound/63106 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 52 | 52 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35693-99-3 | https://commonchemistry.cas.org/detail?cas_rn=35693-99-3 | DSSTox Substance ID | DTXSID3038305 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3038305 | InChIKey | https://registry.identifiers.org/registry/inchikey | HCWZEPKLWVAEOV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HCWZEPKLWVAEOV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',5,5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37248 | https://pubchem.ncbi.nlm.nih.gov/compound/37248 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 53 | 53 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-41-9 | https://commonchemistry.cas.org/detail?cas_rn=41464-41-9 | DSSTox Substance ID | DTXSID3073509 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3073509 | InChIKey | https://registry.identifiers.org/registry/inchikey | SFTUSTXGTCCSHX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SFTUSTXGTCCSHX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',5,6'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38877 | https://pubchem.ncbi.nlm.nih.gov/compound/38877 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 54 | 54 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 15968-05-5 | https://commonchemistry.cas.org/detail?cas_rn=15968-05-5 | DSSTox Substance ID | DTXSID0065983 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0065983 | InChIKey | https://registry.identifiers.org/registry/inchikey | PXAGFNRKXSYIHU-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PXAGFNRKXSYIHU-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',6,6'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 27588 | https://pubchem.ncbi.nlm.nih.gov/compound/27588 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C=CC=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 55 | 55 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74338-24-2 | https://commonchemistry.cas.org/detail?cas_rn=74338-24-2 | DSSTox Substance ID | DTXSID4074221 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074221 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZKGSEEWIVLAUNH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZKGSEEWIVLAUNH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63102 | https://pubchem.ncbi.nlm.nih.gov/compound/63102 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 56 | 56 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-43-1 | https://commonchemistry.cas.org/detail?cas_rn=41464-43-1 | DSSTox Substance ID | DTXSID3074153 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074153 | InChIKey | https://registry.identifiers.org/registry/inchikey | UNCGJRRROFURDV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UNCGJRRROFURDV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38879 | https://pubchem.ncbi.nlm.nih.gov/compound/38879 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 57 | 57 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70424-67-8 | https://commonchemistry.cas.org/detail?cas_rn=70424-67-8 | DSSTox Substance ID | DTXSID5074210 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074210 | InChIKey | https://registry.identifiers.org/registry/inchikey | DHDBTLFALXRTLB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/DHDBTLFALXRTLB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91705 | https://pubchem.ncbi.nlm.nih.gov/compound/91705 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 58 | 58 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-49-7 | https://commonchemistry.cas.org/detail?cas_rn=41464-49-7 | DSSTox Substance ID | DTXSID8074156 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074156 | InChIKey | https://registry.identifiers.org/registry/inchikey | IOPBNBSKOPJKEG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/IOPBNBSKOPJKEG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63109 | https://pubchem.ncbi.nlm.nih.gov/compound/63109 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 59 | 59 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-33-6 | https://commonchemistry.cas.org/detail?cas_rn=74472-33-6 | DSSTox Substance ID | DTXSID9074222 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074222 | InChIKey | https://registry.identifiers.org/registry/inchikey | WZNAMGYIQPAXDH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WZNAMGYIQPAXDH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91718 | https://pubchem.ncbi.nlm.nih.gov/compound/91718 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C=CC(=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 60 | 60 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33025-41-1 | https://commonchemistry.cas.org/detail?cas_rn=33025-41-1 | DSSTox Substance ID | DTXSID3073474 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3073474 | InChIKey | https://registry.identifiers.org/registry/inchikey | XLDBTRJKXLKYTC-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XLDBTRJKXLKYTC-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4,4'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36304 | https://pubchem.ncbi.nlm.nih.gov/compound/36304 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 61 | 61 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33284-53-6 | https://commonchemistry.cas.org/detail?cas_rn=33284-53-6 | DSSTox Substance ID | DTXSID5074135 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074135 | InChIKey | https://registry.identifiers.org/registry/inchikey | HLQDGCWIOSOMDP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HLQDGCWIOSOMDP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4,5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36401 | https://pubchem.ncbi.nlm.nih.gov/compound/36401 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 62 | 62 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 54230-22-7 | https://commonchemistry.cas.org/detail?cas_rn=54230-22-7 | DSSTox Substance ID | DTXSID1074177 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074177 | InChIKey | https://registry.identifiers.org/registry/inchikey | HOBRTVXSIVSXIA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HOBRTVXSIVSXIA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4,6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63105 | https://pubchem.ncbi.nlm.nih.gov/compound/63105 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 63 | 63 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-34-7 | https://commonchemistry.cas.org/detail?cas_rn=74472-34-7 | DSSTox Substance ID | DTXSID4074223 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074223 | InChIKey | https://registry.identifiers.org/registry/inchikey | CITMYAMXIZQCJD-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CITMYAMXIZQCJD-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4',5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 53035 | https://pubchem.ncbi.nlm.nih.gov/compound/53035 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 64 | 64 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-58-8 | https://commonchemistry.cas.org/detail?cas_rn=52663-58-8 | DSSTox Substance ID | DTXSID3074159 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074159 | InChIKey | https://registry.identifiers.org/registry/inchikey | FXRXQYZZALWWGA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/FXRXQYZZALWWGA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4',6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63110 | https://pubchem.ncbi.nlm.nih.gov/compound/63110 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 65 | 65 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33284-54-7 | https://commonchemistry.cas.org/detail?cas_rn=33284-54-7 | DSSTox Substance ID | DTXSID0074136 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074136 | InChIKey | https://registry.identifiers.org/registry/inchikey | BLAYIQLVUNIICD-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BLAYIQLVUNIICD-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,5,6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36402 | https://pubchem.ncbi.nlm.nih.gov/compound/36402 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 66 | 66 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 32598-10-0 | https://commonchemistry.cas.org/detail?cas_rn=32598-10-0 | DSSTox Substance ID | DTXSID3073472 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3073472 | InChIKey | https://registry.identifiers.org/registry/inchikey | RKLLTEAEZIJBAU-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RKLLTEAEZIJBAU-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,4'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36185 | https://pubchem.ncbi.nlm.nih.gov/compound/36185 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C=C(C=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 67 | 67 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 73575-53-8 | https://commonchemistry.cas.org/detail?cas_rn=73575-53-8 | DSSTox Substance ID | DTXSID0074215 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074215 | InChIKey | https://registry.identifiers.org/registry/inchikey | LQEGJNOKOZHBBZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LQEGJNOKOZHBBZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91717 | https://pubchem.ncbi.nlm.nih.gov/compound/91717 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=CC(=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 68 | 68 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 73575-52-7 | https://commonchemistry.cas.org/detail?cas_rn=73575-52-7 | DSSTox Substance ID | DTXSID5074214 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074214 | InChIKey | https://registry.identifiers.org/registry/inchikey | KTTXLLZIBIDUCR-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/KTTXLLZIBIDUCR-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 51821 | https://pubchem.ncbi.nlm.nih.gov/compound/51821 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 69 | 69 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 60233-24-1 | https://commonchemistry.cas.org/detail?cas_rn=60233-24-1 | DSSTox Substance ID | DTXSID4074192 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074192 | InChIKey | https://registry.identifiers.org/registry/inchikey | CKUBKYSLNCKBOI-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CKUBKYSLNCKBOI-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91674 | https://pubchem.ncbi.nlm.nih.gov/compound/91674 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 70 | 70 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 32598-11-1 | https://commonchemistry.cas.org/detail?cas_rn=32598-11-1 | DSSTox Substance ID | DTXSID3038309 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3038309 | InChIKey | https://registry.identifiers.org/registry/inchikey | KENZYIHFBRWMOD-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/KENZYIHFBRWMOD-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4',5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36186 | https://pubchem.ncbi.nlm.nih.gov/compound/36186 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C=CC(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 71 | 71 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-46-4 | https://commonchemistry.cas.org/detail?cas_rn=41464-46-4 | DSSTox Substance ID | DTXSID8074154 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074154 | InChIKey | https://registry.identifiers.org/registry/inchikey | WYVBETQIUHPLFO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WYVBETQIUHPLFO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4',6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38880 | https://pubchem.ncbi.nlm.nih.gov/compound/38880 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=CC(=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 72 | 72 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-42-0 | https://commonchemistry.cas.org/detail?cas_rn=41464-42-0 | DSSTox Substance ID | DTXSID8074152 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074152 | InChIKey | https://registry.identifiers.org/registry/inchikey | WBTMFEPLVQOWFI-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WBTMFEPLVQOWFI-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',5,5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38878 | https://pubchem.ncbi.nlm.nih.gov/compound/38878 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 73 | 73 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74338-23-1 | https://commonchemistry.cas.org/detail?cas_rn=74338-23-1 | DSSTox Substance ID | DTXSID9074220 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074220 | InChIKey | https://registry.identifiers.org/registry/inchikey | HDULUCZRGGWTMZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HDULUCZRGGWTMZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',5',6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63100 | https://pubchem.ncbi.nlm.nih.gov/compound/63100 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=CC(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 74 | 74 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 32690-93-0 | https://commonchemistry.cas.org/detail?cas_rn=32690-93-0 | DSSTox Substance ID | DTXSID8073473 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8073473 | InChIKey | https://registry.identifiers.org/registry/inchikey | TULCXSBAPHCWCF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/TULCXSBAPHCWCF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4,4',5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36218 | https://pubchem.ncbi.nlm.nih.gov/compound/36218 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 75 | 75 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 32598-12-2 | https://commonchemistry.cas.org/detail?cas_rn=32598-12-2 | DSSTox Substance ID | DTXSID5074133 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074133 | InChIKey | https://registry.identifiers.org/registry/inchikey | RZFZBHKDGHISSH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RZFZBHKDGHISSH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4,4',6-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63107 | https://pubchem.ncbi.nlm.nih.gov/compound/63107 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 76 | 76 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70362-48-0 | https://commonchemistry.cas.org/detail?cas_rn=70362-48-0 | DSSTox Substance ID | DTXSID60867919 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID60867919 | InChIKey | https://registry.identifiers.org/registry/inchikey | QILUYCYPNYWMIL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QILUYCYPNYWMIL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4',5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 51042 | https://pubchem.ncbi.nlm.nih.gov/compound/51042 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 77 | 77 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 32598-13-3 | https://commonchemistry.cas.org/detail?cas_rn=32598-13-3 | DSSTox Substance ID | DTXSID5022514 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5022514 | InChIKey | https://registry.identifiers.org/registry/inchikey | UQMGJOKDKOLIDP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UQMGJOKDKOLIDP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',4,4'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36187 | https://pubchem.ncbi.nlm.nih.gov/compound/36187 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 78 | 78 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70362-49-1 | https://commonchemistry.cas.org/detail?cas_rn=70362-49-1 | DSSTox Substance ID | DTXSID1074208 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074208 | InChIKey | https://registry.identifiers.org/registry/inchikey | SXFLURRQRFKBNN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SXFLURRQRFKBNN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',4,5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63101 | https://pubchem.ncbi.nlm.nih.gov/compound/63101 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 79 | 79 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-48-6 | https://commonchemistry.cas.org/detail?cas_rn=41464-48-6 | DSSTox Substance ID | DTXSID3074155 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074155 | InChIKey | https://registry.identifiers.org/registry/inchikey | QLCTXEMDCZGPCG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QLCTXEMDCZGPCG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',4,5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63104 | https://pubchem.ncbi.nlm.nih.gov/compound/63104 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=CC(=CC(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 80 | 80 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33284-52-5 | https://commonchemistry.cas.org/detail?cas_rn=33284-52-5 | DSSTox Substance ID | DTXSID4058657 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4058657 | InChIKey | https://registry.identifiers.org/registry/inchikey | UTMWFJSRHLYRPY-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UTMWFJSRHLYRPY-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',5,5'-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36400 | https://pubchem.ncbi.nlm.nih.gov/compound/36400 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=CC(=CC(=C2)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 81 | 81 | C12H6Cl4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70362-50-4 | https://commonchemistry.cas.org/detail?cas_rn=70362-50-4 | DSSTox Substance ID | DTXSID6074209 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074209 | InChIKey | https://registry.identifiers.org/registry/inchikey | BHWVLZJTVIYLIV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BHWVLZJTVIYLIV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,4,4',5-Tetrachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 51043 | https://pubchem.ncbi.nlm.nih.gov/compound/51043 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 82 | 82 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-62-4 | https://commonchemistry.cas.org/detail?cas_rn=52663-62-4 | DSSTox Substance ID | DTXSID60274189 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID60274189 | InChIKey | https://registry.identifiers.org/registry/inchikey | AUGNBQPSMWGAJE-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/AUGNBQPSMWGAJE-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40470 | https://pubchem.ncbi.nlm.nih.gov/compound/40470 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 83 | 83 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 60145-20-2 | https://commonchemistry.cas.org/detail?cas_rn=60145-20-2 | DSSTox Substance ID | DTXSID0074188 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074188 | InChIKey | https://registry.identifiers.org/registry/inchikey | SUBRHHYLRGOTHL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SUBRHHYLRGOTHL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63093 | https://pubchem.ncbi.nlm.nih.gov/compound/63093 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 84 | 84 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-60-2 | https://commonchemistry.cas.org/detail?cas_rn=52663-60-2 | DSSTox Substance ID | DTXSID0073536 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0073536 | InChIKey | https://registry.identifiers.org/registry/inchikey | QVWUJLANSDKRAH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QVWUJLANSDKRAH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40468 | https://pubchem.ncbi.nlm.nih.gov/compound/40468 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 85 | 85 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 65510-45-4 | https://commonchemistry.cas.org/detail?cas_rn=65510-45-4 | DSSTox Substance ID | DTXSID9073599 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9073599 | InChIKey | https://registry.identifiers.org/registry/inchikey | LACXVZHAJMVESG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LACXVZHAJMVESG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 47651 | https://pubchem.ncbi.nlm.nih.gov/compound/47651 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 86 | 86 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 55312-69-1 | https://commonchemistry.cas.org/detail?cas_rn=55312-69-1 | DSSTox Substance ID | DTXSID1074179 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074179 | InChIKey | https://registry.identifiers.org/registry/inchikey | AIURIRUDHVDRFQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/AIURIRUDHVDRFQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 41404 | https://pubchem.ncbi.nlm.nih.gov/compound/41404 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 87 | 87 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38380-02-8 | https://commonchemistry.cas.org/detail?cas_rn=38380-02-8 | DSSTox Substance ID | DTXSID6073497 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6073497 | InChIKey | https://registry.identifiers.org/registry/inchikey | OPKYDBFRKPQCBS-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/OPKYDBFRKPQCBS-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38014 | https://pubchem.ncbi.nlm.nih.gov/compound/38014 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 88 | 88 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 55215-17-3 | https://commonchemistry.cas.org/detail?cas_rn=55215-17-3 | DSSTox Substance ID | DTXSID6074178 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074178 | InChIKey | https://registry.identifiers.org/registry/inchikey | QGDKRLQRLFUJPP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QGDKRLQRLFUJPP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 41362 | https://pubchem.ncbi.nlm.nih.gov/compound/41362 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 89 | 89 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 73575-57-2 | https://commonchemistry.cas.org/detail?cas_rn=73575-57-2 | DSSTox Substance ID | DTXSID0074219 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074219 | InChIKey | https://registry.identifiers.org/registry/inchikey | GLOOIONSKMZYQZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GLOOIONSKMZYQZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,6'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 51822 | https://pubchem.ncbi.nlm.nih.gov/compound/51822 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 90 | 90 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-07-0 | https://commonchemistry.cas.org/detail?cas_rn=68194-07-0 | DSSTox Substance ID | DTXSID4074196 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074196 | InChIKey | https://registry.identifiers.org/registry/inchikey | SUOAMBOBSWRMNQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SUOAMBOBSWRMNQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 50100 | https://pubchem.ncbi.nlm.nih.gov/compound/50100 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 91 | 91 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-05-8 | https://commonchemistry.cas.org/detail?cas_rn=68194-05-8 | DSSTox Substance ID | DTXSID1073608 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1073608 | InChIKey | https://registry.identifiers.org/registry/inchikey | CXKIGWXPPVZSQK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CXKIGWXPPVZSQK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 50099 | https://pubchem.ncbi.nlm.nih.gov/compound/50099 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 92 | 92 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-61-3 | https://commonchemistry.cas.org/detail?cas_rn=52663-61-3 | DSSTox Substance ID | DTXSID5073537 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5073537 | InChIKey | https://registry.identifiers.org/registry/inchikey | CRCBRZBVCDKPGA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CRCBRZBVCDKPGA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40469 | https://pubchem.ncbi.nlm.nih.gov/compound/40469 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 93 | 93 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 73575-56-1 | https://commonchemistry.cas.org/detail?cas_rn=73575-56-1 | DSSTox Substance ID | DTXSID5074218 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074218 | InChIKey | https://registry.identifiers.org/registry/inchikey | BMXRLHMJGHJGLR-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BMXRLHMJGHJGLR-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5,6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63084 | https://pubchem.ncbi.nlm.nih.gov/compound/63084 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 94 | 94 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 73575-55-0 | https://commonchemistry.cas.org/detail?cas_rn=73575-55-0 | DSSTox Substance ID | DTXSID0074217 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074217 | InChIKey | https://registry.identifiers.org/registry/inchikey | FJUVPPYNSDTRQV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/FJUVPPYNSDTRQV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5,6'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63095 | https://pubchem.ncbi.nlm.nih.gov/compound/63095 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 95 | 95 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38379-99-6 | https://commonchemistry.cas.org/detail?cas_rn=38379-99-6 | DSSTox Substance ID | DTXSID3038301 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3038301 | InChIKey | https://registry.identifiers.org/registry/inchikey | GXNNLIMMEXHBKV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GXNNLIMMEXHBKV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38012 | https://pubchem.ncbi.nlm.nih.gov/compound/38012 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 96 | 96 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 73575-54-9 | https://commonchemistry.cas.org/detail?cas_rn=73575-54-9 | DSSTox Substance ID | DTXSID5074216 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074216 | InChIKey | https://registry.identifiers.org/registry/inchikey | QQFGAXUIQVKBKU-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QQFGAXUIQVKBKU-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,6,6'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63089 | https://pubchem.ncbi.nlm.nih.gov/compound/63089 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 97 | 97 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41464-51-1 | https://commonchemistry.cas.org/detail?cas_rn=41464-51-1 | DSSTox Substance ID | DTXSID2073510 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2073510 | InChIKey | https://registry.identifiers.org/registry/inchikey | JTUSORDQZVOEAZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JTUSORDQZVOEAZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38881 | https://pubchem.ncbi.nlm.nih.gov/compound/38881 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 98 | 98 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 60233-25-2 | https://commonchemistry.cas.org/detail?cas_rn=60233-25-2 | DSSTox Substance ID | DTXSID9074193 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074193 | InChIKey | https://registry.identifiers.org/registry/inchikey | GOFFZTAPOOICFT-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GOFFZTAPOOICFT-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',6'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 43238 | https://pubchem.ncbi.nlm.nih.gov/compound/43238 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 99 | 99 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38380-01-7 | https://commonchemistry.cas.org/detail?cas_rn=38380-01-7 | DSSTox Substance ID | DTXSID1073496 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1073496 | InChIKey | https://registry.identifiers.org/registry/inchikey | LMQJBFRGXHMNOX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LMQJBFRGXHMNOX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,4',5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38013 | https://pubchem.ncbi.nlm.nih.gov/compound/38013 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 100 | 100 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 39485-83-1 | https://commonchemistry.cas.org/detail?cas_rn=39485-83-1 | DSSTox Substance ID | DTXSID8073504 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8073504 | InChIKey | https://registry.identifiers.org/registry/inchikey | RKUAZJIXKHPFRK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RKUAZJIXKHPFRK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,4',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38277 | https://pubchem.ncbi.nlm.nih.gov/compound/38277 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 101 | 101 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 37680-73-2 | https://commonchemistry.cas.org/detail?cas_rn=37680-73-2 | DSSTox Substance ID | DTXSID8038304 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8038304 | InChIKey | https://registry.identifiers.org/registry/inchikey | LAHWLEDBADHJGA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LAHWLEDBADHJGA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,5,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37807 | https://pubchem.ncbi.nlm.nih.gov/compound/37807 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 102 | 102 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-06-9 | https://commonchemistry.cas.org/detail?cas_rn=68194-06-9 | DSSTox Substance ID | DTXSID10867525 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID10867525 | InChIKey | https://registry.identifiers.org/registry/inchikey | BWWVXHRLMPBDCK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BWWVXHRLMPBDCK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,5,6'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63096 | https://pubchem.ncbi.nlm.nih.gov/compound/63096 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 103 | 103 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 60145-21-3 | https://commonchemistry.cas.org/detail?cas_rn=60145-21-3 | DSSTox Substance ID | DTXSID5074189 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074189 | InChIKey | https://registry.identifiers.org/registry/inchikey | PQHZWWBJPCNNGI-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PQHZWWBJPCNNGI-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,5',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63086 | https://pubchem.ncbi.nlm.nih.gov/compound/63086 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 104 | 104 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 56558-16-8 | https://commonchemistry.cas.org/detail?cas_rn=56558-16-8 | DSSTox Substance ID | DTXSID0074184 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074184 | InChIKey | https://registry.identifiers.org/registry/inchikey | MTCPZNVSDFCBBE-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MTCPZNVSDFCBBE-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,6,6'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91662 | https://pubchem.ncbi.nlm.nih.gov/compound/91662 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 105 | 105 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 32598-14-4 | https://commonchemistry.cas.org/detail?cas_rn=32598-14-4 | DSSTox Substance ID | DTXSID8038306 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8038306 | InChIKey | https://registry.identifiers.org/registry/inchikey | WIDHRBRBACOVOY-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WIDHRBRBACOVOY-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36188 | https://pubchem.ncbi.nlm.nih.gov/compound/36188 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 106 | 106 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70424-69-0 | https://commonchemistry.cas.org/detail?cas_rn=70424-69-0 | DSSTox Substance ID | DTXSID5074212 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074212 | InChIKey | https://registry.identifiers.org/registry/inchikey | BQENMISTWGTJIJ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BQENMISTWGTJIJ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 51075 | https://pubchem.ncbi.nlm.nih.gov/compound/51075 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 107 | 107 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70424-68-9 | https://commonchemistry.cas.org/detail?cas_rn=70424-68-9 | DSSTox Substance ID | DTXSID0074211 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074211 | InChIKey | https://registry.identifiers.org/registry/inchikey | PVYBHVJTMRRXLG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PVYBHVJTMRRXLG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4',5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 51074 | https://pubchem.ncbi.nlm.nih.gov/compound/51074 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 108 | 108 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70362-41-3 | https://commonchemistry.cas.org/detail?cas_rn=70362-41-3 | DSSTox Substance ID | DTXSID1074206 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074206 | InChIKey | https://registry.identifiers.org/registry/inchikey | MPCDNZSLJWJDNW-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MPCDNZSLJWJDNW-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91704 | https://pubchem.ncbi.nlm.nih.gov/compound/91704 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=CC(=CC(=C2)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 109 | 109 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-35-8 | https://commonchemistry.cas.org/detail?cas_rn=74472-35-8 | DSSTox Substance ID | DTXSID9074224 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074224 | InChIKey | https://registry.identifiers.org/registry/inchikey | XGQBSVVYMVILEL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XGQBSVVYMVILEL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 93440 | https://pubchem.ncbi.nlm.nih.gov/compound/93440 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 110 | 110 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38380-03-9 | https://commonchemistry.cas.org/detail?cas_rn=38380-03-9 | DSSTox Substance ID | DTXSID3038307 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3038307 | InChIKey | https://registry.identifiers.org/registry/inchikey | ARXHIJMGSIYYRZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ARXHIJMGSIYYRZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38015 | https://pubchem.ncbi.nlm.nih.gov/compound/38015 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 111 | 111 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 39635-32-0 | https://commonchemistry.cas.org/detail?cas_rn=39635-32-0 | DSSTox Substance ID | DTXSID50865964 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID50865964 | InChIKey | https://registry.identifiers.org/registry/inchikey | QMUDLTGWHILKHH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QMUDLTGWHILKHH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',5,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63091 | https://pubchem.ncbi.nlm.nih.gov/compound/63091 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 112 | 112 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-36-9 | https://commonchemistry.cas.org/detail?cas_rn=74472-36-9 | DSSTox Substance ID | DTXSID4074225 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074225 | InChIKey | https://registry.identifiers.org/registry/inchikey | NTKSJAPQYKCFPP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/NTKSJAPQYKCFPP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',5,6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91719 | https://pubchem.ncbi.nlm.nih.gov/compound/91719 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 113 | 113 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-10-5 | https://commonchemistry.cas.org/detail?cas_rn=68194-10-5 | DSSTox Substance ID | DTXSID4074198 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074198 | InChIKey | https://registry.identifiers.org/registry/inchikey | YDGFMDPEJCJZEV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YDGFMDPEJCJZEV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',5',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63087 | https://pubchem.ncbi.nlm.nih.gov/compound/63087 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 114 | 114 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-37-0 | https://commonchemistry.cas.org/detail?cas_rn=74472-37-0 | DSSTox Substance ID | DTXSID9074226 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074226 | InChIKey | https://registry.identifiers.org/registry/inchikey | SXZSFWHOSHAKMN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SXZSFWHOSHAKMN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4,4',5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 53036 | https://pubchem.ncbi.nlm.nih.gov/compound/53036 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 115 | 115 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-38-1 | https://commonchemistry.cas.org/detail?cas_rn=74472-38-1 | DSSTox Substance ID | DTXSID4074227 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074227 | InChIKey | https://registry.identifiers.org/registry/inchikey | IOVARPVVZDOPGQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/IOVARPVVZDOPGQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4,4',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91720 | https://pubchem.ncbi.nlm.nih.gov/compound/91720 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 116 | 116 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 18259-05-7 | https://commonchemistry.cas.org/detail?cas_rn=18259-05-7 | DSSTox Substance ID | DTXSID40864820 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID40864820 | InChIKey | https://registry.identifiers.org/registry/inchikey | GGMPTLAAIUQMIE-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GGMPTLAAIUQMIE-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4,5,6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 17348 | https://pubchem.ncbi.nlm.nih.gov/compound/17348 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 117 | 117 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-11-6 | https://commonchemistry.cas.org/detail?cas_rn=68194-11-6 | DSSTox Substance ID | DTXSID9074199 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074199 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZDDZPDTVCZLFFC-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZDDZPDTVCZLFFC-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4',5,6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63094 | https://pubchem.ncbi.nlm.nih.gov/compound/63094 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 118 | 118 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 31508-00-6 | https://commonchemistry.cas.org/detail?cas_rn=31508-00-6 | DSSTox Substance ID | DTXSID4032116 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4032116 | InChIKey | https://registry.identifiers.org/registry/inchikey | IUTPYMGCWINGEY-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/IUTPYMGCWINGEY-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,4',5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 35823 | https://pubchem.ncbi.nlm.nih.gov/compound/35823 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 119 | 119 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 56558-17-9 | https://commonchemistry.cas.org/detail?cas_rn=56558-17-9 | DSSTox Substance ID | DTXSID5074185 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074185 | InChIKey | https://registry.identifiers.org/registry/inchikey | OAEQTHQGPZKTQP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/OAEQTHQGPZKTQP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,4',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63083 | https://pubchem.ncbi.nlm.nih.gov/compound/63083 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 120 | 120 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-12-7 | https://commonchemistry.cas.org/detail?cas_rn=68194-12-7 | DSSTox Substance ID | DTXSID6073609 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6073609 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZLGYJAIAVPVCNF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZLGYJAIAVPVCNF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,5,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 50101 | https://pubchem.ncbi.nlm.nih.gov/compound/50101 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 121 | 121 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 56558-18-0 | https://commonchemistry.cas.org/detail?cas_rn=56558-18-0 | DSSTox Substance ID | DTXSID50866577 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID50866577 | InChIKey | https://registry.identifiers.org/registry/inchikey | XBVSGJGMWSKAKL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XBVSGJGMWSKAKL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,5',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63092 | https://pubchem.ncbi.nlm.nih.gov/compound/63092 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=C(C=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 122 | 122 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 76842-07-4 | https://commonchemistry.cas.org/detail?cas_rn=76842-07-4 | DSSTox Substance ID | DTXSID2074243 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2074243 | InChIKey | https://registry.identifiers.org/registry/inchikey | GWOWBISZHLPYEK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GWOWBISZHLPYEK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4',5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91728 | https://pubchem.ncbi.nlm.nih.gov/compound/91728 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 123 | 123 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 65510-44-3 | https://commonchemistry.cas.org/detail?cas_rn=65510-44-3 | DSSTox Substance ID | DTXSID50867160 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID50867160 | InChIKey | https://registry.identifiers.org/registry/inchikey | YAHNWSSFXMVPOU-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YAHNWSSFXMVPOU-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,4',5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 47650 | https://pubchem.ncbi.nlm.nih.gov/compound/47650 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 124 | 124 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 70424-70-3 | https://commonchemistry.cas.org/detail?cas_rn=70424-70-3 | DSSTox Substance ID | DTXSID0074213 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074213 | InChIKey | https://registry.identifiers.org/registry/inchikey | PIVBPZFQXKMHBD-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PIVBPZFQXKMHBD-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4',5,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63088 | https://pubchem.ncbi.nlm.nih.gov/compound/63088 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 125 | 125 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-39-2 | https://commonchemistry.cas.org/detail?cas_rn=74472-39-2 | DSSTox Substance ID | DTXSID9074228 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074228 | InChIKey | https://registry.identifiers.org/registry/inchikey | WAZUWHGJMMZVHH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WAZUWHGJMMZVHH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4',5',6-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 93441 | https://pubchem.ncbi.nlm.nih.gov/compound/93441 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 126 | 126 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 57465-28-8 | https://commonchemistry.cas.org/detail?cas_rn=57465-28-8 | DSSTox Substance ID | DTXSID3032179 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3032179 | InChIKey | https://registry.identifiers.org/registry/inchikey | REHONNLQRWTIFF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/REHONNLQRWTIFF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',4,4',5-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63090 | https://pubchem.ncbi.nlm.nih.gov/compound/63090 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 127 | 127 | C12H5Cl5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 39635-33-1 | https://commonchemistry.cas.org/detail?cas_rn=39635-33-1 | DSSTox Substance ID | DTXSID9074145 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074145 | InChIKey | https://registry.identifiers.org/registry/inchikey | MXVAYAXIPRGORY-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MXVAYAXIPRGORY-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',4,5,5'-Pentachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63085 | https://pubchem.ncbi.nlm.nih.gov/compound/63085 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 128 | 128 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38380-07-3 | https://commonchemistry.cas.org/detail?cas_rn=38380-07-3 | DSSTox Substance ID | DTXSID50858932 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID50858932 | InChIKey | https://registry.identifiers.org/registry/inchikey | BTAGRXWGMYTPBY-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BTAGRXWGMYTPBY-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38018 | https://pubchem.ncbi.nlm.nih.gov/compound/38018 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 129 | 129 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 55215-18-4 | https://commonchemistry.cas.org/detail?cas_rn=55215-18-4 | DSSTox Substance ID | DTXSID8073554 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8073554 | InChIKey | https://registry.identifiers.org/registry/inchikey | VQQKIXKPMJTUMP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VQQKIXKPMJTUMP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 41363 | https://pubchem.ncbi.nlm.nih.gov/compound/41363 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 130 | 130 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-66-8 | https://commonchemistry.cas.org/detail?cas_rn=52663-66-8 | DSSTox Substance ID | DTXSID5073539 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5073539 | InChIKey | https://registry.identifiers.org/registry/inchikey | YFSLABAYQDPWPF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YFSLABAYQDPWPF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40473 | https://pubchem.ncbi.nlm.nih.gov/compound/40473 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 131 | 131 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 61798-70-7 | https://commonchemistry.cas.org/detail?cas_rn=61798-70-7 | DSSTox Substance ID | DTXSID8074780 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074780 | InChIKey | https://registry.identifiers.org/registry/inchikey | WDLTVNWWEZJMPF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WDLTVNWWEZJMPF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91680 | https://pubchem.ncbi.nlm.nih.gov/compound/91680 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 132 | 132 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38380-05-1 | https://commonchemistry.cas.org/detail?cas_rn=38380-05-1 | DSSTox Substance ID | DTXSID9074141 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074141 | InChIKey | https://registry.identifiers.org/registry/inchikey | OKBJVIVEFXPEOU-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/OKBJVIVEFXPEOU-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38017 | https://pubchem.ncbi.nlm.nih.gov/compound/38017 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 133 | 133 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35694-04-3 | https://commonchemistry.cas.org/detail?cas_rn=35694-04-3 | DSSTox Substance ID | DTXSID4030045 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4030045 | InChIKey | https://registry.identifiers.org/registry/inchikey | AJKLKINFZLWHQE-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/AJKLKINFZLWHQE-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37249 | https://pubchem.ncbi.nlm.nih.gov/compound/37249 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 134 | 134 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52704-70-8 | https://commonchemistry.cas.org/detail?cas_rn=52704-70-8 | DSSTox Substance ID | DTXSID1074173 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074173 | InChIKey | https://registry.identifiers.org/registry/inchikey | RVWLHPJFOKUPNM-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RVWLHPJFOKUPNM-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',5,6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40496 | https://pubchem.ncbi.nlm.nih.gov/compound/40496 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 135 | 135 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52744-13-5 | https://commonchemistry.cas.org/detail?cas_rn=52744-13-5 | DSSTox Substance ID | DTXSID9073541 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9073541 | InChIKey | https://registry.identifiers.org/registry/inchikey | UUTNFLRSJBQQJM-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UUTNFLRSJBQQJM-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',5,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40517 | https://pubchem.ncbi.nlm.nih.gov/compound/40517 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 136 | 136 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38411-22-2 | https://commonchemistry.cas.org/detail?cas_rn=38411-22-2 | DSSTox Substance ID | DTXSID6073499 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6073499 | InChIKey | https://registry.identifiers.org/registry/inchikey | FZFUUSROAHKTTF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/FZFUUSROAHKTTF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',6,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38024 | https://pubchem.ncbi.nlm.nih.gov/compound/38024 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 137 | 137 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35694-06-5 | https://commonchemistry.cas.org/detail?cas_rn=35694-06-5 | DSSTox Substance ID | DTXSID0074138 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074138 | InChIKey | https://registry.identifiers.org/registry/inchikey | CKLLRBPBZLTGDJ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CKLLRBPBZLTGDJ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37250 | https://pubchem.ncbi.nlm.nih.gov/compound/37250 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 138 | 138 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35065-28-2 | https://commonchemistry.cas.org/detail?cas_rn=35065-28-2 | DSSTox Substance ID | DTXSID8038300 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8038300 | InChIKey | https://registry.identifiers.org/registry/inchikey | RPUMZMSNLZHIGZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RPUMZMSNLZHIGZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37035 | https://pubchem.ncbi.nlm.nih.gov/compound/37035 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 139 | 139 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 56030-56-9 | https://commonchemistry.cas.org/detail?cas_rn=56030-56-9 | DSSTox Substance ID | DTXSID5074183 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074183 | InChIKey | https://registry.identifiers.org/registry/inchikey | SPOPSCCFZQFGDL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SPOPSCCFZQFGDL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63080 | https://pubchem.ncbi.nlm.nih.gov/compound/63080 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 140 | 140 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 59291-64-4 | https://commonchemistry.cas.org/detail?cas_rn=59291-64-4 | DSSTox Substance ID | DTXSID0074186 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074186 | InChIKey | https://registry.identifiers.org/registry/inchikey | XBBRGUHRZBZMPP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XBBRGUHRZBZMPP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 43004 | https://pubchem.ncbi.nlm.nih.gov/compound/43004 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 141 | 141 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52712-04-6 | https://commonchemistry.cas.org/detail?cas_rn=52712-04-6 | DSSTox Substance ID | DTXSID6074174 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074174 | InChIKey | https://registry.identifiers.org/registry/inchikey | UCLKLGIYGBLTSM-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UCLKLGIYGBLTSM-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40234 | https://pubchem.ncbi.nlm.nih.gov/compound/40234 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 142 | 142 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41411-61-4 | https://commonchemistry.cas.org/detail?cas_rn=41411-61-4 | DSSTox Substance ID | DTXSID9074149 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074149 | InChIKey | https://registry.identifiers.org/registry/inchikey | RUEIBQJFGMERJD-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RUEIBQJFGMERJD-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5,6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91635 | https://pubchem.ncbi.nlm.nih.gov/compound/91635 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC=C(C(=C1)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 143 | 143 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-15-0 | https://commonchemistry.cas.org/detail?cas_rn=68194-15-0 | DSSTox Substance ID | DTXSID1074202 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074202 | InChIKey | https://registry.identifiers.org/registry/inchikey | UQPQKLGBEKEZBV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UQPQKLGBEKEZBV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63076 | https://pubchem.ncbi.nlm.nih.gov/compound/63076 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 144 | 144 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-14-9 | https://commonchemistry.cas.org/detail?cas_rn=68194-14-9 | DSSTox Substance ID | DTXSID6074201 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074201 | InChIKey | https://registry.identifiers.org/registry/inchikey | CXXRQFOKRZJAJA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CXXRQFOKRZJAJA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63071 | https://pubchem.ncbi.nlm.nih.gov/compound/63071 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 145 | 145 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-40-5 | https://commonchemistry.cas.org/detail?cas_rn=74472-40-5 | DSSTox Substance ID | DTXSID4074229 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074229 | InChIKey | https://registry.identifiers.org/registry/inchikey | JZFZCLFEPXCRCA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JZFZCLFEPXCRCA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,6,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 93442 | https://pubchem.ncbi.nlm.nih.gov/compound/93442 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 146 | 146 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 51908-16-8 | https://commonchemistry.cas.org/detail?cas_rn=51908-16-8 | DSSTox Substance ID | DTXSID8074158 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074158 | InChIKey | https://registry.identifiers.org/registry/inchikey | BQHCQAQLTCQFJZ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BQHCQAQLTCQFJZ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40172 | https://pubchem.ncbi.nlm.nih.gov/compound/40172 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 147 | 147 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-13-8 | https://commonchemistry.cas.org/detail?cas_rn=68194-13-8 | DSSTox Substance ID | DTXSID1074200 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074200 | InChIKey | https://registry.identifiers.org/registry/inchikey | AQONCPKMJSBHQT-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/AQONCPKMJSBHQT-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5,6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63081 | https://pubchem.ncbi.nlm.nih.gov/compound/63081 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 148 | 148 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-41-6 | https://commonchemistry.cas.org/detail?cas_rn=74472-41-6 | DSSTox Substance ID | DTXSID3074230 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074230 | InChIKey | https://registry.identifiers.org/registry/inchikey | CTVRBEKNQHJPLX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CTVRBEKNQHJPLX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 92391 | https://pubchem.ncbi.nlm.nih.gov/compound/92391 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 149 | 149 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38380-04-0 | https://commonchemistry.cas.org/detail?cas_rn=38380-04-0 | DSSTox Substance ID | DTXSID1073498 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1073498 | InChIKey | https://registry.identifiers.org/registry/inchikey | LKHLFUVHHXCNJH-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LKHLFUVHHXCNJH-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38016 | https://pubchem.ncbi.nlm.nih.gov/compound/38016 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 150 | 150 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-08-1 | https://commonchemistry.cas.org/detail?cas_rn=68194-08-1 | DSSTox Substance ID | DTXSID9074197 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074197 | InChIKey | https://registry.identifiers.org/registry/inchikey | RPPNJBZNXQNKNM-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RPPNJBZNXQNKNM-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',6,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63075 | https://pubchem.ncbi.nlm.nih.gov/compound/63075 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 151 | 151 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-63-5 | https://commonchemistry.cas.org/detail?cas_rn=52663-63-5 | DSSTox Substance ID | DTXSID2074160 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2074160 | InChIKey | https://registry.identifiers.org/registry/inchikey | UHCLFIWDCYOTOL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UHCLFIWDCYOTOL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5,5',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40471 | https://pubchem.ncbi.nlm.nih.gov/compound/40471 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 152 | 152 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-09-2 | https://commonchemistry.cas.org/detail?cas_rn=68194-09-2 | DSSTox Substance ID | DTXSID70867526 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID70867526 | InChIKey | https://registry.identifiers.org/registry/inchikey | CLODVDBWNVQLGO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CLODVDBWNVQLGO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,5,6,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63070 | https://pubchem.ncbi.nlm.nih.gov/compound/63070 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 153 | 153 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35065-27-1 | https://commonchemistry.cas.org/detail?cas_rn=35065-27-1 | DSSTox Substance ID | DTXSID2032180 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2032180 | InChIKey | https://registry.identifiers.org/registry/inchikey | MVWHGTYKUMDIHL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MVWHGTYKUMDIHL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,4',5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37034 | https://pubchem.ncbi.nlm.nih.gov/compound/37034 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 154 | 154 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 60145-22-4 | https://commonchemistry.cas.org/detail?cas_rn=60145-22-4 | DSSTox Substance ID | DTXSID4074190 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074190 | InChIKey | https://registry.identifiers.org/registry/inchikey | QXZHEJWDLVUFFB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/QXZHEJWDLVUFFB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,4',5,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63082 | https://pubchem.ncbi.nlm.nih.gov/compound/63082 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 155 | 155 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33979-03-2 | https://commonchemistry.cas.org/detail?cas_rn=33979-03-2 | DSSTox Substance ID | DTXSID3040302 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3040302 | InChIKey | https://registry.identifiers.org/registry/inchikey | ICOAEPDGFWLUTI-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ICOAEPDGFWLUTI-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',4,4',6,6'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36647 | https://pubchem.ncbi.nlm.nih.gov/compound/36647 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 156 | 156 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38380-08-4 | https://commonchemistry.cas.org/detail?cas_rn=38380-08-4 | DSSTox Substance ID | DTXSID0052706 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0052706 | InChIKey | https://registry.identifiers.org/registry/inchikey | LCXMEXLGMKFLQO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LCXMEXLGMKFLQO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4',5-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38019 | https://pubchem.ncbi.nlm.nih.gov/compound/38019 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 157 | 157 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 69782-90-7 | https://commonchemistry.cas.org/detail?cas_rn=69782-90-7 | DSSTox Substance ID | DTXSID6074205 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074205 | InChIKey | https://registry.identifiers.org/registry/inchikey | YTWXDQVNPCIEOX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YTWXDQVNPCIEOX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4',5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 50891 | https://pubchem.ncbi.nlm.nih.gov/compound/50891 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 158 | 158 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-42-7 | https://commonchemistry.cas.org/detail?cas_rn=74472-42-7 | DSSTox Substance ID | DTXSID8074231 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074231 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZQUPQXINXTWCQR-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZQUPQXINXTWCQR-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63072 | https://pubchem.ncbi.nlm.nih.gov/compound/63072 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 159 | 159 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 39635-35-3 | https://commonchemistry.cas.org/detail?cas_rn=39635-35-3 | DSSTox Substance ID | DTXSID4074146 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074146 | InChIKey | https://registry.identifiers.org/registry/inchikey | YZKLGRAIIIGOHB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YZKLGRAIIIGOHB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91631 | https://pubchem.ncbi.nlm.nih.gov/compound/91631 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 160 | 160 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41411-62-5 | https://commonchemistry.cas.org/detail?cas_rn=41411-62-5 | DSSTox Substance ID | DTXSID20866044 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID20866044 | InChIKey | https://registry.identifiers.org/registry/inchikey | JHJMZCXLJXRCHK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JHJMZCXLJXRCHK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,5,6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 632312 | https://pubchem.ncbi.nlm.nih.gov/compound/632312 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC(=C1)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 161 | 161 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-43-8 | https://commonchemistry.cas.org/detail?cas_rn=74472-43-8 | DSSTox Substance ID | DTXSID3074232 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074232 | InChIKey | https://registry.identifiers.org/registry/inchikey | UNPTZXSJGZTGJJ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UNPTZXSJGZTGJJ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,5',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 93443 | https://pubchem.ncbi.nlm.nih.gov/compound/93443 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 162 | 162 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 39635-34-2 | https://commonchemistry.cas.org/detail?cas_rn=39635-34-2 | DSSTox Substance ID | DTXSID10865965 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID10865965 | InChIKey | https://registry.identifiers.org/registry/inchikey | AHZUOPSGLWYCNF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/AHZUOPSGLWYCNF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4',5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63074 | https://pubchem.ncbi.nlm.nih.gov/compound/63074 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 163 | 163 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-44-9 | https://commonchemistry.cas.org/detail?cas_rn=74472-44-9 | DSSTox Substance ID | DTXSID8074233 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074233 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZAGRQXMWMRUYRB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZAGRQXMWMRUYRB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4',5,6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63079 | https://pubchem.ncbi.nlm.nih.gov/compound/63079 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 164 | 164 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-45-0 | https://commonchemistry.cas.org/detail?cas_rn=74472-45-0 | DSSTox Substance ID | DTXSID3074234 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074234 | InChIKey | https://registry.identifiers.org/registry/inchikey | HAZQOLYHFUUJJN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HAZQOLYHFUUJJN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4',5',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63073 | https://pubchem.ncbi.nlm.nih.gov/compound/63073 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 165 | 165 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-46-1 | https://commonchemistry.cas.org/detail?cas_rn=74472-46-1 | DSSTox Substance ID | DTXSID8073631 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8073631 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZEATXTCWXKQPHO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZEATXTCWXKQPHO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',5,5',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 53037 | https://pubchem.ncbi.nlm.nih.gov/compound/53037 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 166 | 166 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41411-63-6 | https://commonchemistry.cas.org/detail?cas_rn=41411-63-6 | DSSTox Substance ID | DTXSID8074150 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074150 | InChIKey | https://registry.identifiers.org/registry/inchikey | BTOCFTAWZMMTNB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BTOCFTAWZMMTNB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,4,4',5,6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63077 | https://pubchem.ncbi.nlm.nih.gov/compound/63077 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 167 | 167 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-72-6 | https://commonchemistry.cas.org/detail?cas_rn=52663-72-6 | DSSTox Substance ID | DTXSID7074165 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7074165 | InChIKey | https://registry.identifiers.org/registry/inchikey | AZXHAWRMEPZSSV-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/AZXHAWRMEPZSSV-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,4',5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40479 | https://pubchem.ncbi.nlm.nih.gov/compound/40479 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 168 | 168 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 59291-65-5 | https://commonchemistry.cas.org/detail?cas_rn=59291-65-5 | DSSTox Substance ID | DTXSID5074187 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074187 | InChIKey | https://registry.identifiers.org/registry/inchikey | PITHIPNORFGJPI-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PITHIPNORFGJPI-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3',4,4',5',6-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63078 | https://pubchem.ncbi.nlm.nih.gov/compound/63078 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C=C(C=C2Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 169 | 169 | C12H4Cl6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 32774-16-6 | https://commonchemistry.cas.org/detail?cas_rn=32774-16-6 | DSSTox Substance ID | DTXSID2038314 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2038314 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZHLICBPIXDOFFG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZHLICBPIXDOFFG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,3',4,4',5,5'-Hexachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36231 | https://pubchem.ncbi.nlm.nih.gov/compound/36231 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 170 | 170 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35065-30-6 | https://commonchemistry.cas.org/detail?cas_rn=35065-30-6 | DSSTox Substance ID | DTXSID2073481 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2073481 | InChIKey | https://registry.identifiers.org/registry/inchikey | RMPWIIKNWPVWNG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RMPWIIKNWPVWNG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',5-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37037 | https://pubchem.ncbi.nlm.nih.gov/compound/37037 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 171 | 171 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-71-5 | https://commonchemistry.cas.org/detail?cas_rn=52663-71-5 | DSSTox Substance ID | DTXSID4073540 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4073540 | InChIKey | https://registry.identifiers.org/registry/inchikey | TZMHVHLTPWKZCI-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/TZMHVHLTPWKZCI-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40478 | https://pubchem.ncbi.nlm.nih.gov/compound/40478 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 172 | 172 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-74-8 | https://commonchemistry.cas.org/detail?cas_rn=52663-74-8 | DSSTox Substance ID | DTXSID7074167 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7074167 | InChIKey | https://registry.identifiers.org/registry/inchikey | HOPMUCXYRNOABF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HOPMUCXYRNOABF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5,5'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40481 | https://pubchem.ncbi.nlm.nih.gov/compound/40481 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 173 | 173 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-16-1 | https://commonchemistry.cas.org/detail?cas_rn=68194-16-1 | DSSTox Substance ID | DTXSID6074203 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074203 | InChIKey | https://registry.identifiers.org/registry/inchikey | PAYFWJAKKLILIT-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PAYFWJAKKLILIT-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5,6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 50102 | https://pubchem.ncbi.nlm.nih.gov/compound/50102 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 174 | 174 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 38411-25-5 | https://commonchemistry.cas.org/detail?cas_rn=38411-25-5 | DSSTox Substance ID | DTXSID4074142 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074142 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZDLMBNHYTPHDLF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZDLMBNHYTPHDLF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5,6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38025 | https://pubchem.ncbi.nlm.nih.gov/compound/38025 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 175 | 175 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 40186-70-7 | https://commonchemistry.cas.org/detail?cas_rn=40186-70-7 | DSSTox Substance ID | DTXSID9074147 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074147 | InChIKey | https://registry.identifiers.org/registry/inchikey | KJBDZJFSYQUNJT-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/KJBDZJFSYQUNJT-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91633 | https://pubchem.ncbi.nlm.nih.gov/compound/91633 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 176 | 176 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-65-7 | https://commonchemistry.cas.org/detail?cas_rn=52663-65-7 | DSSTox Substance ID | DTXSID7074161 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7074161 | InChIKey | https://registry.identifiers.org/registry/inchikey | HGMYRFJAJNYBRX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HGMYRFJAJNYBRX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,6,6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63097 | https://pubchem.ncbi.nlm.nih.gov/compound/63097 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 177 | 177 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-70-4 | https://commonchemistry.cas.org/detail?cas_rn=52663-70-4 | DSSTox Substance ID | DTXSID2074164 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2074164 | InChIKey | https://registry.identifiers.org/registry/inchikey | CXOYNJAHPUASHN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/CXOYNJAHPUASHN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5',6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40477 | https://pubchem.ncbi.nlm.nih.gov/compound/40477 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 178 | 178 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-67-9 | https://commonchemistry.cas.org/detail?cas_rn=52663-67-9 | DSSTox Substance ID | DTXSID2074162 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2074162 | InChIKey | https://registry.identifiers.org/registry/inchikey | WCIBKXHMIXUQHK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WCIBKXHMIXUQHK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',5,5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40474 | https://pubchem.ncbi.nlm.nih.gov/compound/40474 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 179 | 179 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-64-6 | https://commonchemistry.cas.org/detail?cas_rn=52663-64-6 | DSSTox Substance ID | DTXSID0073538 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0073538 | InChIKey | https://registry.identifiers.org/registry/inchikey | XYHVYEUZLSYHDP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XYHVYEUZLSYHDP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',5,6,6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40472 | https://pubchem.ncbi.nlm.nih.gov/compound/40472 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 180 | 180 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35065-29-3 | https://commonchemistry.cas.org/detail?cas_rn=35065-29-3 | DSSTox Substance ID | DTXSID6038299 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6038299 | InChIKey | https://registry.identifiers.org/registry/inchikey | WBHQEUPUMONIKF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WBHQEUPUMONIKF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5,5'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37036 | https://pubchem.ncbi.nlm.nih.gov/compound/37036 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 181 | 181 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-47-2 | https://commonchemistry.cas.org/detail?cas_rn=74472-47-2 | DSSTox Substance ID | DTXSID8074235 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074235 | InChIKey | https://registry.identifiers.org/registry/inchikey | DJEUXBQAKBLKPO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/DJEUXBQAKBLKPO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5,6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 53038 | https://pubchem.ncbi.nlm.nih.gov/compound/53038 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 182 | 182 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 60145-23-5 | https://commonchemistry.cas.org/detail?cas_rn=60145-23-5 | DSSTox Substance ID | DTXSID9074191 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID9074191 | InChIKey | https://registry.identifiers.org/registry/inchikey | RXRLRYZUMSYVLS-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/RXRLRYZUMSYVLS-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5,6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 63098 | https://pubchem.ncbi.nlm.nih.gov/compound/63098 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 183 | 183 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-69-1 | https://commonchemistry.cas.org/detail?cas_rn=52663-69-1 | DSSTox Substance ID | DTXSID7074163 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7074163 | InChIKey | https://registry.identifiers.org/registry/inchikey | KQBFUDNJKCZEDQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/KQBFUDNJKCZEDQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40476 | https://pubchem.ncbi.nlm.nih.gov/compound/40476 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 184 | 184 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-48-3 | https://commonchemistry.cas.org/detail?cas_rn=74472-48-3 | DSSTox Substance ID | DTXSID3074236 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074236 | InChIKey | https://registry.identifiers.org/registry/inchikey | OBIUJJSQKPGKME-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/OBIUJJSQKPGKME-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',6,6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 92392 | https://pubchem.ncbi.nlm.nih.gov/compound/92392 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 185 | 185 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52712-05-7 | https://commonchemistry.cas.org/detail?cas_rn=52712-05-7 | DSSTox Substance ID | DTXSID1074175 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074175 | InChIKey | https://registry.identifiers.org/registry/inchikey | PYZHTHZEHQHHEN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PYZHTHZEHQHHEN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5,5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40500 | https://pubchem.ncbi.nlm.nih.gov/compound/40500 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 186 | 186 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-49-4 | https://commonchemistry.cas.org/detail?cas_rn=74472-49-4 | DSSTox Substance ID | DTXSID8074237 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074237 | InChIKey | https://registry.identifiers.org/registry/inchikey | FGDPOTMRBQHPJK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/FGDPOTMRBQHPJK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,5,6,6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 93444 | https://pubchem.ncbi.nlm.nih.gov/compound/93444 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 187 | 187 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-68-0 | https://commonchemistry.cas.org/detail?cas_rn=52663-68-0 | DSSTox Substance ID | DTXSID5052832 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5052832 | InChIKey | https://registry.identifiers.org/registry/inchikey | UDMZPLROONOSEF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/UDMZPLROONOSEF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5,5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40475 | https://pubchem.ncbi.nlm.nih.gov/compound/40475 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 188 | 188 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74487-85-7 | https://commonchemistry.cas.org/detail?cas_rn=74487-85-7 | DSSTox Substance ID | DTXSID7074242 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7074242 | InChIKey | https://registry.identifiers.org/registry/inchikey | MMTJWDQKGUNSDK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MMTJWDQKGUNSDK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4',5,6,6'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91723 | https://pubchem.ncbi.nlm.nih.gov/compound/91723 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 189 | 189 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 39635-31-9 | https://commonchemistry.cas.org/detail?cas_rn=39635-31-9 | DSSTox Substance ID | DTXSID4074144 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074144 | InChIKey | https://registry.identifiers.org/registry/inchikey | XUAWBXBYHDRROL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XUAWBXBYHDRROL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4',5,5'-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38306 | https://pubchem.ncbi.nlm.nih.gov/compound/38306 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 190 | 190 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 41411-64-7 | https://commonchemistry.cas.org/detail?cas_rn=41411-64-7 | DSSTox Substance ID | DTXSID3074151 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074151 | InChIKey | https://registry.identifiers.org/registry/inchikey | TYEDCFVCFDKSBK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/TYEDCFVCFDKSBK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4',5,6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38857 | https://pubchem.ncbi.nlm.nih.gov/compound/38857 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 191 | 191 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-50-7 | https://commonchemistry.cas.org/detail?cas_rn=74472-50-7 | DSSTox Substance ID | DTXSID3074238 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074238 | InChIKey | https://registry.identifiers.org/registry/inchikey | TVFXBXWAXIMLAQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/TVFXBXWAXIMLAQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4',5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 53039 | https://pubchem.ncbi.nlm.nih.gov/compound/53039 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 192 | 192 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-51-8 | https://commonchemistry.cas.org/detail?cas_rn=74472-51-8 | DSSTox Substance ID | DTXSID8074239 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID8074239 | InChIKey | https://registry.identifiers.org/registry/inchikey | ZUTDUGMNROUBOX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ZUTDUGMNROUBOX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,5,5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 50892 | https://pubchem.ncbi.nlm.nih.gov/compound/50892 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 193 | 193 | C12H3Cl7 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 69782-91-8 | https://commonchemistry.cas.org/detail?cas_rn=69782-91-8 | DSSTox Substance ID | DTXSID30867845 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID30867845 | InChIKey | https://registry.identifiers.org/registry/inchikey | SSTJUBQGYXNFFP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/SSTJUBQGYXNFFP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4',5,5',6-Heptachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 633844 | https://pubchem.ncbi.nlm.nih.gov/compound/633844 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 194 | 194 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 35694-08-7 | https://commonchemistry.cas.org/detail?cas_rn=35694-08-7 | DSSTox Substance ID | DTXSID5074139 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID5074139 | InChIKey | https://registry.identifiers.org/registry/inchikey | DTMRKGRREZAYAP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/DTMRKGRREZAYAP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',5,5'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 37251 | https://pubchem.ncbi.nlm.nih.gov/compound/37251 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 195 | 195 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-78-2 | https://commonchemistry.cas.org/detail?cas_rn=52663-78-2 | DSSTox Substance ID | DTXSID1074171 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074171 | InChIKey | https://registry.identifiers.org/registry/inchikey | JAHJITLFJSDRCG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JAHJITLFJSDRCG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',5,6-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40485 | https://pubchem.ncbi.nlm.nih.gov/compound/40485 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 196 | 196 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 42740-50-1 | https://commonchemistry.cas.org/detail?cas_rn=42740-50-1 | DSSTox Substance ID | DTXSID3074157 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID3074157 | InChIKey | https://registry.identifiers.org/registry/inchikey | BQFCCUSDZLKBJG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/BQFCCUSDZLKBJG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',5,6'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 39253 | https://pubchem.ncbi.nlm.nih.gov/compound/39253 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 197 | 197 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 33091-17-7 | https://commonchemistry.cas.org/detail?cas_rn=33091-17-7 | DSSTox Substance ID | DTXSID0074134 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074134 | InChIKey | https://registry.identifiers.org/registry/inchikey | YPDBBDKYNWRFMF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YPDBBDKYNWRFMF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',6,6'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 36327 | https://pubchem.ncbi.nlm.nih.gov/compound/36327 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 198 | 198 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 68194-17-2 | https://commonchemistry.cas.org/detail?cas_rn=68194-17-2 | DSSTox Substance ID | DTXSID1074204 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID1074204 | InChIKey | https://registry.identifiers.org/registry/inchikey | PJHBSPRZHUOIAS-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/PJHBSPRZHUOIAS-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5,5',6-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 50103 | https://pubchem.ncbi.nlm.nih.gov/compound/50103 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 199 | 199 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-75-9 | https://commonchemistry.cas.org/detail?cas_rn=52663-75-9 | DSSTox Substance ID | DTXSID2074168 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2074168 | InChIKey | https://registry.identifiers.org/registry/inchikey | HJBYDWKNARZTMJ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HJBYDWKNARZTMJ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5,5',6'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40482 | https://pubchem.ncbi.nlm.nih.gov/compound/40482 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 200 | 200 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-73-7 | https://commonchemistry.cas.org/detail?cas_rn=52663-73-7 | DSSTox Substance ID | DTXSID2074166 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2074166 | InChIKey | https://registry.identifiers.org/registry/inchikey | HHXNVASVVVNNDG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HHXNVASVVVNNDG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5,6,6'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40480 | https://pubchem.ncbi.nlm.nih.gov/compound/40480 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=CC(=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 201 | 201 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 40186-71-8 | https://commonchemistry.cas.org/detail?cas_rn=40186-71-8 | DSSTox Substance ID | DTXSID4074148 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4074148 | InChIKey | https://registry.identifiers.org/registry/inchikey | LJQOBQLZTUSEJA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/LJQOBQLZTUSEJA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5',6,6'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38410 | https://pubchem.ncbi.nlm.nih.gov/compound/38410 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 202 | 202 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2136-99-4 | https://commonchemistry.cas.org/detail?cas_rn=2136-99-4 | DSSTox Substance ID | DTXSID0074132 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID0074132 | InChIKey | https://registry.identifiers.org/registry/inchikey | JPOPEORRMSDUIP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JPOPEORRMSDUIP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',5,5',6,6'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 16495 | https://pubchem.ncbi.nlm.nih.gov/compound/16495 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 203 | 203 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-76-0 | https://commonchemistry.cas.org/detail?cas_rn=52663-76-0 | DSSTox Substance ID | DTXSID7074169 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7074169 | InChIKey | https://registry.identifiers.org/registry/inchikey | DCPDZFRGNJDWPP-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/DCPDZFRGNJDWPP-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5,5',6-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40483 | https://pubchem.ncbi.nlm.nih.gov/compound/40483 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 204 | 204 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-52-9 | https://commonchemistry.cas.org/detail?cas_rn=74472-52-9 | DSSTox Substance ID | DTXSID7074240 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID7074240 | InChIKey | https://registry.identifiers.org/registry/inchikey | JDZUWXRNKHXZFE-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JDZUWXRNKHXZFE-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,4,4',5,6,6'-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91721 | https://pubchem.ncbi.nlm.nih.gov/compound/91721 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 205 | 205 | C12H2Cl8 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 74472-53-0 | https://commonchemistry.cas.org/detail?cas_rn=74472-53-0 | DSSTox Substance ID | DTXSID2074241 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID2074241 | InChIKey | https://registry.identifiers.org/registry/inchikey | VXXBCDUYUQKWCK-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VXXBCDUYUQKWCK-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,3',4,4',5,5',6-Octachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91722 | https://pubchem.ncbi.nlm.nih.gov/compound/91722 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 206 | 206 | C12HCl9 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 40186-72-9 | https://commonchemistry.cas.org/detail?cas_rn=40186-72-9 | DSSTox Substance ID | DTXSID50865989 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID50865989 | InChIKey | https://registry.identifiers.org/registry/inchikey | JFIMDKGRGPNPRQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/JFIMDKGRGPNPRQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',5,5',6-Nonachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 38411 | https://pubchem.ncbi.nlm.nih.gov/compound/38411 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 207 | 207 | C12HCl9 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-79-3 | https://commonchemistry.cas.org/detail?cas_rn=52663-79-3 | DSSTox Substance ID | DTXSID6074172 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074172 | InChIKey | https://registry.identifiers.org/registry/inchikey | YGDPIDTZOQGPAX-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/YGDPIDTZOQGPAX-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',5,6,6'-Nonachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 91648 | https://pubchem.ncbi.nlm.nih.gov/compound/91648 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Hydroxylated polychlorinated biphenyls | 3-F,4'-OH-PCB3 | 3 | C12H8ClFO | InChIKey | https://registry.identifiers.org/registry/inchikey | DBNVNCYZHMXJJL-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/DBNVNCYZHMXJJL-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 4-(3-fluoro-4-chlorophenyl)phenol | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 20099942 | https://pubchem.ncbi.nlm.nih.gov/compound/20099942 | |||||||||||||||||
| ChemicalSubstances | Hydroxylated polychlorinated biphenyls | 4,5-diOH-PCB95 | 95 | C12H5Cl5O2 | InChIKey | https://registry.identifiers.org/registry/inchikey | AVAUGFGSPAJGSE-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/AVAUGFGSPAJGSE-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 3,4,6-trichloro-5-(2,5-dichlorophenyl)benzene-1,2-diol | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 132278490 | https://pubchem.ncbi.nlm.nih.gov/compound/132278490 | |||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 208 | 208 | C12HCl9 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 52663-77-1 | https://commonchemistry.cas.org/detail?cas_rn=52663-77-1 | DSSTox Substance ID | DTXSID6074170 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID6074170 | InChIKey | https://registry.identifiers.org/registry/inchikey | XIFFTDRFWYFAPO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XIFFTDRFWYFAPO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,5,5',6,6'-Nonachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 40484 | https://pubchem.ncbi.nlm.nih.gov/compound/40484 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Polychlorinated biphenyls | PCB 209 | 209 | C12Cl10 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2051-24-3 | https://commonchemistry.cas.org/detail?cas_rn=2051-24-3 | DSSTox Substance ID | DTXSID4047541 | https://comptox.epa.gov/dashboard/chemical/detailsDTXSID4047541 | InChIKey | https://registry.identifiers.org/registry/inchikey | ONXPZLFXDMAPRO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/ONXPZLFXDMAPRO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2',3,3',4,4',5,5',6,6'-Decachloro-1,1'-biphenyl | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 16318 | https://pubchem.ncbi.nlm.nih.gov/compound/16318 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl | |||||||
| ChemicalSubstances | Hydroxylated polychlorinated biphenyls | 4'-OH-PCB95 | 95 | C12H5Cl5O | InChIKey | https://registry.identifiers.org/registry/inchikey | GDQBQONNQUYVKG-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/GDQBQONNQUYVKG-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,5-dichloro-4-(2,3,6-trichlorophenyl)phenol | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 129853646 | https://pubchem.ncbi.nlm.nih.gov/compound/129853646 | |||||||||||||||||
| ChemicalSubstances | Hydroxylated polychlorinated biphenyls | 4-OH-PCB95 | 95 | C12H5Cl5O | InChIKey | https://registry.identifiers.org/registry/inchikey | VLOXUAHEXUHYTO-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/VLOXUAHEXUHYTO-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,3,5-trichloro-4-(2,5-dichlorophenyl)phenol | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 102344102 | https://pubchem.ncbi.nlm.nih.gov/compound/102344102 | |||||||||||||||||
| ChemicalSubstances | Hydroxylated polychlorinated biphenyls | 5-OH-PCB95 | 95 | C12H5Cl5O | InChIKey | https://registry.identifiers.org/registry/inchikey | NGZZCCQHHGJRSN-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/NGZZCCQHHGJRSN-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4,5-trichloro-3-(2,5-dichlorophenyl)phenol | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 102344104 | https://pubchem.ncbi.nlm.nih.gov/compound/102344104 | |||||||||||||||||
| ChemicalSubstances | Hydroxylated polychlorinated biphenyls | 3-OH-PCB103 | 103 | C12H5Cl5O | InChIKey | https://registry.identifiers.org/registry/inchikey | OTDVHFVBSACSKB-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/OTDVHFVBSACSKB-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,4,6-trichloro-3-(2,5-dichlorophenyl)phenol | |||||||||||||||||||||
| ChemicalSubstances | Hydroxylated polychlorinated biphenyls | 4'-OH-PCB159 | 159 | C13H6Cl6O | InChIKey | https://registry.identifiers.org/registry/inchikey | FGXPVCUIOFCODF-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/FGXPVCUIOFCODF-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 1,2,3,4-tetrachloro-5-(3,5-dichloro-4-methoxyphenyl)benzene | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 101924076 | https://pubchem.ncbi.nlm.nih.gov/compound/101924076 | |||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 1 | MeOPCB005 | 1 | 4,5 | 2 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=C(OC)C=C1C2=CC=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 1 | MeOPCB056 | 1 | 4 | 2 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=CC=C1C2=CC=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 2 | MeOPCB054 | 2 | 2' | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=CC(C2=CC=CC=C2OC)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2-MeO-PCB 2 | MeOPCB053 | 2 | 2 | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=CC(C2=CC=CC=C2)=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 2 | MeOPCB058 | 2 | 3' | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=CC(C2=CC=CC(OC)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 2 | MeOPCB061 | 2 | 4' | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=CC(C2=CC=C(OC)C=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 2 | MeOPCB060 | 2 | 4 | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C=CC(C2=CC=CC=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 5-MeO-PCB 2 | MeOPCB057 | 2 | 5 | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=CC(C2=CC=CC=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 6-MeO-PCB 2 | MeOPCB055 | 2 | 6 | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=C(OC)C(C2=CC=CC=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',3'-diMeO-PCB 3 | MeOPCB006 | 3 | 2',3' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C=C1)=CC=C1C2=C(OC)C(OC)=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 3 | MeOPCB002 | 3 | 2' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C=C1)=CC=C1C2=C(OC)C=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2-MeO-PCB 3 | MeOPCB001 | 3 | 2 | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C=C1OC)=CC=C1C2=CC=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3',4'-diMeO-PCB 3 | MeOPCB016 | 3 | 3',4' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C=C1)=CC=C1C2=CC=C(OC)C(OC)=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3-MeO-PCB 3 | MeOPCB003 | 3 | 3 | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C(OC)=C1)=CC=C1C2=CC=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 3 | MeOPCB062 | 3 | 4' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=C(C2=CC=C(C=C2)OC)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 4 | MeOPCB012 | 4 | 4,5 | 2,2' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=C(OC)C=C1C2=C(Cl)C=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',3'-diMeO-PCB 5 | MeOPCB008 | 5 | 2',3' | 2,3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(C2=C(OC)C(OC)=CC=C2)=CC=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',5'-diMeO-PCB 5 | MeOPCB015 | 5 | 2',5' | 2,3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C=CC=C1C2=C(OC)C=CC(OC)=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 5 | MeOPCB059 | 5 | 2' | 2,3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C=CC=C1C2=C(C=CC=C2)OC)Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3',4'-diMeO-PCB 5 | MeOPCB028 | 5 | 3',4' | 2,3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C=CC=C1C2=CC=C(OC)C(OC)=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 5 | MeOPCB009 | 5 | 4' | 2,3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(C2=CC=C(OC)C=C2)=CC=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',5'-diMeO-PCB 8 | MeOPCB011 | 8 | 2'5' | 2,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=CC=C1C2=C(OC)C=C(Cl)C(OC)=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 8 | MeOPCB029 | 8 | 4,5 | 2,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=C(OC)C=C1C2=CC=C(Cl)C=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',3'-diMeO-PCB 9 | MeOPCB022 | 9 | 2',3' | 2,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=C(OC)C(OC)=CC=C2)=C(Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 9 | MeOPCB064 | 9 | 3' | 2,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=CC(OC)=CC=C2)=C(Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 9 | MeOPCB067 | 9 | 4' | 2,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=CC=C(OC)C=C2)=C(Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2,5-diMeO-PCB 11 | MeOPCB018 | 11 | 2,5 | 3,3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=CC(C2=CC=CC(Cl)=C2)=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2-MeO-PCB 11 | MeOPCB004 | 11 | 2 | 3,3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(C2=CC(Cl)=CC=C2)=CC=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 11 | MeOPCB034 | 11 | 4,5 | 2,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(OC)=CC(C2=CC=CC(Cl)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 11 | MeOPCB019 | 11 | 4 | 3,3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C=CC(C2=CC=CC(Cl)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 5,6-diMeO-PCB 11 | MeOPCB017 | 11 | 5,6 | 3,3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=C(OC)C(C2=CC=CC(Cl)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 5-MeO-PCB 11 | MeOPCB013 | 11 | 5 | 3,3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(OC)=CC(C2=CC=CC(Cl)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 6-MeO-PCB 11 | MeOPCB007 | 11 | 6 | 3,3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=C(OC)C(C2=CC=CC(Cl)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',3'-diMeO-PCB 12 | MeOPCB021 | 12 | 2',3' | 3,4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C(Cl)=C1)=CC=C1C2=C(OC)C(OC)=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 12 | MeOPCB065 | 12 | 2' | 3,4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C(Cl)=C1)=CC=C1C2=C(OC)C=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3',4'-diMeO-PCB 12 | MeOPCB041 | 12 | 3',4' | 3,4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC=C(C2=CC(OC)=C(OC)C=C2)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 12 | MeOPCB023 | 12 | 4' | 3,4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=CC=C(OC)C=C2)=CC=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',5'-MeO-PCB 14 | MeOPCB025 | 14 | 2,5' | 3,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=CC(OC)=CC=C2OC)=CC(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3',4'-diMeO-PCB 14 | MeOPCB037 | 14 | 3',4' | 3,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=CC(OC)=C(OC)C=C2)=CC(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 14 | MeOPCB066 | 14 | 4 | 3,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=CC=CC=C2)=CC(Cl)=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2,5-diMeO-PCB 15 | MeOPCB030 | 15 | 2,5 | 4,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C=C1)=CC=C1C2=CC(OC)=C(Cl)C=C2OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 18 | MeOPCB070 | 18 | 4' | 2,2',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(OC)C=C2Cl)C=C(Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 25 | MeOPCB033 | 25 | 4' | 2,3'4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=C(C2=CC=C(OC)C(Cl)=C2)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 26 | MeOPCB075 | 26 | 4' | 2,3',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C=C(C=C1)Cl)C2=CC=C(OC)C(Cl)=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 6'-MeO-PCB 26 | MeOPCB069 | 26 | 6' | 2,3',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(OC)C=CC(Cl)=C2)C=C(Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 28 | MeOPCB010 | 28 | 2' | 2,4,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=CC=C1C2=C(OC)C=C(Cl)C=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 28 | MeOPCB026 | 28 | 3' | 2,4,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=C(C2=CC=C(Cl)C(OC)=C2)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3-MeO-PCB 28 | MeOPCB020 | 28 | 3 | 2,4,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(C2=CC=C(Cl)C=C2)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 5-MeO-PCB 28 | MeOPCB027 | 28 | 5 | 2,4,4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=C(C2=CC=C(Cl)C=C2)C=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 29 | MeOPCB031 | 29 | 4' | 2,4,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C=C(C2=CC=C(OC)C=C2)C(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 30 | MeOPCB063 | 30 | 2' | 2,4,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=CC(Cl)=C1C2=CC=CC=C2OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 30 | MeOPCB068 | 30 | 3' | 2,4,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=CC(Cl)=C1C2=CC=CC(OC)=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 30 | MeOPCB071 | 30 | 4' | 2,4,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=CC(Cl)=C1C2=CC=C(OC)C=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2',5'-diMeO-PCB 31 | MeOPCB035 | 31 | 2',5' | 2,4',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C(OC)=C1)=CC(OC)=C1C2=C(Cl)C=CC(Cl)=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 35 | MeOPCB024 | 35 | 4' | 3,3',4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=CC(Cl)=C(Cl)C=C2)=CC=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 36 | MeOPCB032 | 36 | 4 | 3,3',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=CC(C2=CC=CC(Cl)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3-MeO-PCB 50 | MeOPCB014 | 50 | 3 | 2,2',4,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC(C(OC)=C1Cl)=CC(Cl)=C1C2=C(Cl)C=CC=C2 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,4'-diMeO-PCB 52 | MeOPCB051 | 52 | 4,4' | 2,2',5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=C(OC)C=C2Cl)C=C(Cl)C(OC)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3-MeO-PCB 54 | MeOPCB072 | 54 | 3 | 2,2',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=CC=C2Cl)C(Cl)=CC=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 61 | MeOPCB078 | 61 | 2' | 2,3,4,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=CC=C2OC)C=C(Cl)C(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 61 | MeOPCB084 | 61 | 3' | 2,3,4,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=CC(OC)=C2)C=C(Cl)C(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 61 | MeOPCB086 | 61 | 4' | 2,3,4,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(OC)C=C2)C=C(Cl)C(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 65 | MeOPCB074 | 65 | 2' | 2,3,5,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=CC=C2OC)C(Cl)=C(Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 65 | MeOPCB077 | 65 | 3' | 2,3,5,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=CC(OC)=C2)C(Cl)=C(Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 65 | MeOPCB082 | 65 | 4' | 2,3,5,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(OC)C=C2)C(Cl)=C(Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 65 | MeOPCB076 | 65 | 4 | 2,3,5,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=CC=C2)C(Cl)=C(Cl)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 68 | MeOPCB039 | 68 | 4' | 2,3',4,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=C(OC)C(Cl)=C2)C=CC(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 69 | MeOPCB081 | 69 | 4' | 2,3',4,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(OC)C(Cl)=C2)C(Cl)=CC(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 6'-MeO-PCB 69 | MeOPCB073 | 69 | 6' | 2,3',4,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(OC)C=CC(Cl)=C2)C(Cl)=CC(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 72 | MeOPCB080 | 72 | 4' | 2,3',5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=C(OC)C(Cl)=C2)C=C(Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 79 | MeOPCB087 | 79 | 4' | 3,3',4,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C=CC(C2=CC(Cl)=C(OC)C(Cl)=C2)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 6'-MeO-PCB 83 | MeOPCB083 | 83 | 6' | 2,2',3,3',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(OC)C=CC(Cl)=C2Cl)C=C(Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 86 | MeOPCB094 | 86 | 4' | 2,2',3,4,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC=C(OC)C=C2Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 91 | MeOPCB047 | 91 | 4,5 | 2,2',3,4',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(Cl)C=C2Cl)C(Cl)=C(OC)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 91 | MeOPCB046 | 91 | 4 | 2,2',3,4',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(Cl)C=C2Cl)C(Cl)=CC(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 5-MeO-PCB 91 | MeOPCB044 | 91 | 5 | 2,2',3,4',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(Cl)C=C2Cl)C(Cl)=C(OC)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 93 | MeOPCB085 | 93 | 4' | 2,2',3,5,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(OC)C=C2Cl)C(Cl)=C(Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 95 | MeOPCB045 | 95 | 4,5 | 2,2',3,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=CC=C2Cl)C(Cl)=C(OC)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 95 | MeOPCB043 | 95 | 4' | 2,2',3,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=C(OC)C=C2Cl)C(Cl)=CC=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 97 | MeOPCB095 | 97 | 4 | 2,2',3,4',5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=C(Cl)C=C2Cl)C=CC(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 98 | MeOPCB040 | 98 | 3' | 2,2',3,4',6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=C(Cl)C(OC)=C2Cl)C=CC=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3-MeO-PCB 100 | MeOPCB038 | 100 | 3 | 2,2',4,4',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=C(Cl)C=C2)C(Cl)=CC(Cl)=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 101 | MeOPCB088 | 101 | 4' | 2,2',4,5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=C(OC)C=C2Cl)C=C(Cl)C(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 6'-MeO-PCB 101 | MeOPCB079 | 101 | 6' | 2,2',4,5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(OC)C(Cl)=CC=C2Cl)C=C(Cl)C(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3-MeO-PCB 103 | MeOPCB036 | 103 | 3 | 2,2',4,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(C2=C(Cl)C(OC)=C(Cl)C=C2Cl)=C(Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 106 | MeOPCB089 | 106 | 2' | 2,3,3',4,5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=CC(C2=CC=CC(Cl)=C2OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 107 | MeOPCB098 | 107 | 4 | 2,3,3',4',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=C(Cl)C(Cl)=C2)C=C(Cl)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 108 | MeOPCB096 | 108 | 4' | 2,3,3',4,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(OC)C(Cl)=C2)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 2'-MeO-PCB 114 | MeOPCB090 | 114 | 2' | 2,3,4,4',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=CC(C2=CC=C(Cl)C=C2OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3-MeO-PCB 118 | MeOPCB097 | 118 | 3 | 2,3',4,4',5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(C2=CC=C(Cl)C(Cl)=C2)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 120 | MeOPCB092 | 120 | 4' | 2,3',4,5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=CC(Cl)=C(C2=CC(Cl)=C(OC)C(Cl)=C2)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 127 | MeOPCB103 | 127 | 4' | 3,3',4,5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C=C(C2=CC(Cl)=C(OC)C(Cl)=C2)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 130 | MeOPCB102 | 130 | 4' | 2,2',3,3',4,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(OC)C(Cl)=C2Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 132 | MeOPCB052 | 132 | 4,5 | 2,2',3,3',4,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=C(Cl)C(Cl)=C2Cl)C=C(OC)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 134 | MeOPCB093 | 134 | 4 | 2,2',3,3',5,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC=CC(Cl)=C2Cl)C(Cl)=C(Cl)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,5-diMeO-PCB 136 | MeOPCB048 | 136 | 4,5 | 2,2',3,3',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=CC(Cl)=C2Cl)C(Cl)=C(OC)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 136 | MeOPCB049 | 136 | 4 | 2,2',3,3',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=CC(Cl)=C2Cl)C(Cl)=CC(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 138 | MeOPCB101 | 138 | 3' | 2,2',3,4,4',5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(Cl)C(OC)=C2Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 5-MeO-PCB 138 | MeOPCB110 | 138 | 5 | 2,2',3,4,4',5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(Cl)C=C2Cl)C=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 140 | MeOPCB050 | 140 | 3' | 2,2',3,4,4',6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=C(Cl)C(OC)=C2Cl)C=CC(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 146 | MeOPCB100 | 146 | 4 | 2,2',3,4',5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=CC(Cl)=C(Cl)C=C2Cl)C=C(Cl)C(OC)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 150 | MeOPCB042 | 150 | 3' | 2,2',3,4',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(C2=C(Cl)C=C(Cl)C(OC)=C2Cl)C(Cl)=CC=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3,3'di-MeO-PCB 155 | MeOPCB091 | 155 | 3,3' | 2,2',4,4',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(C2=C(Cl)C=C(Cl)C(OC)=C2Cl)C(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 159 | MeOPCB113 | 159 | 4' | 2,3',3',4,5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(OC)C(Cl)=C2)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 162 | MeOPCB114 | 162 | 4 | 2,3,3',4',5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=CC(C2=CC(Cl)=C(Cl)C(Cl)=C2)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 163 | MeOPCB105 | 163 | 4 | 2,3,3',4',5,6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(Cl)C(C2=CC=C(Cl)C(Cl)=C2)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 172 | MeOPCB118 | 172 | 4' | 2,2',3,3',4,5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(OC)C(Cl)=C2Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 177 | MeOPCB112 | 177 | 4' | 2,2',3,3',4,5',6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=C(Cl)C(Cl)=C(OC)C(Cl)=C2Cl)C=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 178 | MeOPCB104 | 178 | 4 | 2,2',3,3',5,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(Cl)C(C2=CC(Cl)=CC(Cl)=C2Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 180 | MeOPCB117 | 180 | 3' | 2,2'3,4,4',5,5' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(Cl)C(OC)=C2Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 182 | MeOPCB106 | 182 | 3' | 2,2',3,4,4',5,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=C(Cl)C=C(Cl)C(OC)=C2Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 183 | MeOPCB107 | 183 | 3' | 2,2',3,4,4',5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(Cl)C(OC)=C2Cl)C(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 5-MeO-PCB 183 | MeOPCB108 | 183 | 5 | 2,2',3,4,4',5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(Cl)C=C2Cl)C(Cl)=C1OC | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 184 | MeOPCB099 | 184 | 3' | 2,2',3,4,4',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=C(Cl)C=C(Cl)C(OC)=C2Cl)C(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 187 | MeOPCB109 | 187 | 4 | 2,2',3,4',5,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(Cl)C(C2=CC(Cl)=C(Cl)C=C2Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 193 | MeOPCB116 | 193 | 4 | 2,3,3',4',5,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(Cl)C(C2=CC(Cl)=C(Cl)C(Cl)=C2)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 198 | MeOPCB120 | 198 | 4' | 2,2',3,3',4,5,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(OC)C(Cl)=C2Cl)C(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 199 | MeOPCB123 | 199 | 4' | 2,2',3,3',4,5,5',6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=C(Cl)C(Cl)=C(OC)C(Cl)=C2Cl)C=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 200 | MeOPCB121 | 200 | 4' | 2,2',3,3',4,5,6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=C(Cl)C=C(OC)C(Cl)=C2Cl)C(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 201 | MeOPCB115 | 201 | 4' | 2,2',3,3',4,5',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=C(Cl)C(Cl)=C(OC)C(Cl)=C2Cl)C(Cl)=C1 | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4,4'di-MeO-PCB 202 | MeOPCB119 | 202 | 4,4' | 2,2',3,3',5,5',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(Cl)C(C2=C(Cl)C(Cl)=C(OC)C(Cl)=C2Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4-MeO-PCB 202 | MeOPCB111 | 202 | 4 | 2,2',3,3',5,5',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(OC)C(Cl)=C(Cl)C(C2=C(Cl)C(Cl)=CC(Cl)=C2Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 3'-MeO-PCB 203 | MeOPCB122 | 203 | 3' | 2,2',3,4,4',5,5',6 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=CC(Cl)=C(Cl)C(OC)=C2Cl)C(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Methoxylated polychlorinated biphenyls | 4'-MeO-PCB 208 | MeOPCB124 | 208 | 4' | 2,2',3,3',4,5,5',6,6' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | ClC1=C(Cl)C(Cl)=C(C2=C(Cl)C(Cl)=C(OC)C(Cl)=C2Cl)C(Cl)=C1Cl | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 2'-PCB3 sulfate | PCB3 sulfate | 3 | 4 | 2' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S(OC1=CC=CC=C1C2=CC=CC(Cl)=C2)([O-])=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 3-F,4'-PCB3 sulfate | 3 | C12H11ClFNO4S | InChIKey | https://registry.identifiers.org/registry/inchikey | MUYMCEBMJRPJFT-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/MUYMCEBMJRPJFT-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 4-(3-fluoro-4-chlorophenyl)-phenyl ammonium sulfate | |||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 3'-PCB3 sulfate | PCB3 sulfate | 3 | 4 | 3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S(OC1=CC(C2=CC=CC(Cl)=C2)=CC=C1)([O-])=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4'-PCB3 sulfate | PCB3 sulfate | 3 | 4 | 4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=CC=C1C2=CC=C(Cl)C=C2)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4'-PCB8 sulfate | PCB8 sulfate | 8 | 2,4' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1Cl)=CC=C1C2=CC=C(Cl)C=C2)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4'-PCB9 sulfate | PCB9 sulfate | 9 | 2,5 | 4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=CC=C1C2=CC(Cl)=CC=C2Cl)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4-PCB11 sulfate | PCB11 sulfate | 11 | 3,3' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=C(Cl)C=C1C2=CC(Cl)=CC=C2)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4'-PCB12 sulfate | PCB12 sulfate | 12 | 3,4 | 4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=CC=C1C2=CC(Cl)=C(Cl)C=C2)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4'-PCB25 sulfate | PCB25 sulfate | 25 | 2,3',4 | 4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=C(Cl)C=C1C2=CC=C(Cl)C=C2Cl)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4'-PCB26 sulfate | PCB26 sulfate | 26 | 2,3',5 | 4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=C(Cl)C=C1C2=CC(Cl)=CC=C2Cl)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 2'-PCB28 suflate | PCB28 sulfate | 28 | 2,4,4' | 2' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S(OC1=CC(Cl)=CC=C1C2=CC=C(Cl)C=C2Cl)([O-])=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 3'-PCB28 suflate | PCB28 sulfate | 28 | 2,4,4' | 3' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S(OC1=CC(C2=CC=C(Cl)C=C2Cl)=CC=C1Cl)([O-])=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 3-PCB28 suflate | PCB28 sulfate | 28 | 2,4,4' | 3 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S(OC1=C(Cl)C(C2=CC=C(Cl)C=C2)=CC=C1Cl)([O-])=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4-PCB33 sulfate | PCB33 sulfate | 28 | 2,3',4' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=CC(Cl)=C1C2=CC(Cl)=C(Cl)C=C2)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 5-PCB28 sulfate | PCB28 sulfate | 28 | 2,4,4' | 5 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S(OC1=CC(Cl)=CC(Cl)=C1C2=CC=C(Cl)C=C2)([O-])=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4'-PCB35 sulfate | PCB35 sulfate | 35 | 3,3',4 | 4' | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1)=C(Cl)C=C1C2=CC(Cl)=C(Cl)C=C2)=O | |||||||||||||||||||||||
| ChemicalSubstances | Polychlorinated biphenyl sulfates | 4-PCB52 sulfate | PCB52 sulfate | 52 | 2,2',5,5' | 4 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | O=S([O-])(OC(C=C1Cl)=C(Cl)C=C1C2=CC(Cl)=CC=C2Cl)=O | |||||||||||||||||||||||
| ChemicalSubstances | Siloxanes | D3 | Hexamethylcyclotrisiloxane | 0 | C6H18O3Si3 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 541-05-9 | https://commonchemistry.cas.org/detail?cas_rn=541-05-9 | DSSTox Substance ID | DTXSID501337639 | https://comptox.epa.gov/dashboard/chemical/details/DTXSID501337639 | InChIKey | https://registry.identifiers.org/registry/inchikey | HTDJPCNNEPUOOQ-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HTDJPCNNEPUOOQ-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 10914 | https://pubchem.ncbi.nlm.nih.gov/compound/10914 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C | ||||||
| ChemicalSubstances | PFAS and PFOS | PFOS | 0 | C8F17KO3S | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 2795-39-3 | https://commonchemistry.cas.org/detail?cas_rn=2795-39-3 | DTXSID8037706 | https://comptox.epa.gov/dashboard/chemical/details/DTXSID8037706 | InChIKey | https://registry.identifiers.org/registry/inchikey | WFRUBUQWJYMMRQ-UHFFFAOYSA-M | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/WFRUBUQWJYMMRQ-UHFFFAOYSA-M | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | potassium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 23669238 | https://pubchem.ncbi.nlm.nih.gov/compound/23669238 | |||||||||||
| ChemicalSubstances | Siloxanes | D4 | Octamethylcyclotetrasiloxane | 0 | C8H24O4Si4 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 556-67-2 | https://commonchemistry.cas.org/detail?cas_rn=556-67-2 | DSSTox Substance ID | DTXSID7027205 | https://comptox.epa.gov/dashboard/chemical/details/DTXSID7027205 | InChIKey | https://registry.identifiers.org/registry/inchikey | HMMGMWAXVFQUOA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/HMMGMWAXVFQUOA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 11169 | https://pubchem.ncbi.nlm.nih.gov/compound/11169 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C[Si]1(O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)C | ||||||
| ChemicalSubstances | Siloxanes | D5 | Decamethylcyclopentasiloxane | 0 | C10H30O5Si5 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 541-02-6 | https://commonchemistry.cas.org/detail?cas_rn=541-02-6 | DSSTox Substance ID | DTXSID1027184 | https://comptox.epa.gov/dashboard/chemical/details/DTXSID1027184 | InChIKey | https://registry.identifiers.org/registry/inchikey | XMSXQFUHVRWGNA-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/XMSXQFUHVRWGNA-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2,4,4,6,6,8,8,10,10-decamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 10913 | https://pubchem.ncbi.nlm.nih.gov/compound/10913 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C[Si]1(O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)C | ||||||
| ChemicalSubstances | Siloxanes | D6 | Dodecamethylcyclohexasiloxane | 0 | C12H36O6Si6 | CAS Registry Number | https://www.cas.org/cas-data/cas-registry | 540-97-6 | https://commonchemistry.cas.org/detail?cas_rn=540-97-6 | DSSTox Substance ID | DTXSID6027183 | https://comptox.epa.gov/dashboard/chemical/details/DTXSID6027183 | InChIKey | https://registry.identifiers.org/registry/inchikey | IUMSDRXLFWAGNT-UHFFFAOYSA-N | http://rdf.ncbi.nlm.nih.gov/pubchem/inchikey/IUMSDRXLFWAGNT-UHFFFAOYSA-N | IUPAC Name | https://iupac.org/what-we-do/nomenclature/ | 2,2,4,4,6,6,8,8,10,10,12,12-dodecamethyl-1,3,5,7,9,11-hexaoxa-2,4,6,8,10,12-hexasilacyclododecane | PubChem CID | https://pubchem.ncbi.nlm.nih.gov/ | 10911 | https://pubchem.ncbi.nlm.nih.gov/compound/10911 | Canonical SMILES | https://www.daylight.com/dayhtml/doc/theory/theory.smiles.html | C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)C |