CHEBI:79726 - 2,2',3',4,4',5,5'-Heptachloro-3-biphenylol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,2',3',4,4',5,5'-Heptachloro-3-biphenylol
ChEBI ID CHEBI:79726
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H3Cl7O
Net Charge 0
Average Mass 411.32300
Monoisotopic Mass 407.80036
InChI InChI=1S/C12H3Cl7O/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2,20H
InChIKey JCUBQOKFGUXHFL-UHFFFAOYSA-N
SMILES Oc1c(Cl)c(Cl)cc(c1Cl)-c1cc(Cl)c(Cl)c(Cl)c1Cl
ChEBI Ontology
Outgoing 2,2',3',4,4',5,5'-Heptachloro-3-biphenylol (CHEBI:79726) is a biphenyls (CHEBI:22888)
2,2',3',4,4',5,5'-Heptachloro-3-biphenylol (CHEBI:79726) is a tetrachlorobenzene (CHEBI:26888)
2,2',3',4,4',5,5'-Heptachloro-3-biphenylol (CHEBI:79726) is a trichlorobenzene (CHEBI:27096)
Manual Xref Database
C15213 KEGG COMPOUND
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Last Modified
24 October 2014