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2,3,3',4,4',5,5'-Heptachlorobiphenyl

PropertiesImage
MNX_IDMNXM34365 Image of MNXM34365
referencechebi:81525
formulaC12H3Cl7
global charge0
mol weight395.327
InChIKeyXUAWBXBYHDRROL-UHFFFAOYSA-N
InChIInChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H
SMILESClC1=CC(C2=CC(Cl)=C(Cl)C(Cl)=C2Cl)=CC(Cl)=C1Cl
MNX internals
InChI (mnx)InChI=1/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H Image of MNXM34365
SMILES (mnx)[CH:1]1=[C:4]([C:5]2=[CH:3][C:8]([Cl:15])=[C:11]([Cl:18])[C:12]([Cl:19])=[C:9]2[Cl:16])[CH:2]=[C:7]([Cl:14])[C:10]([Cl:17])=[C:6]1[Cl:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd19393
seedM:cpd19393
CHEBI:81525
chebi:81525
kegg.compound:C18123
keggC:C18123
XUAWBXBYHDRROL-UHFFFAOYSA-N
2,3,3',4,4',5,5'-Heptachlorobiphenyl
PCB 189
hmdb:HMDB0245419
XUAWBXBYHDRROL-UHFFFAOYSA-N
2,3,3',4,4',5,5'-Heptachlorobiphenyl
1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene
2,3,4,5,3',4',5'-Heptachlorobiphenyl
Heptachlorobiphenyl
PCB 189

keggC:M_C18123
seedM:M_cpd19393
secondary/obsolete/fantasy identifier