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1,2,3,4,7,8-Hexachlorodibenzodioxin

PropertiesImage
MNX_IDMNXM32038 Image of MNXM32038
referencechebi:81502
formulaC12H2Cl6O2
global charge0
mol weight390.864
InChIKeyWCYYQNSQJHPVMG-UHFFFAOYSA-N
InChIInChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H
SMILESClC1=C(Cl)C=C2OC3=C(OC2=C1)C(Cl)=C(Cl)C(Cl)=C3Cl
MNX internals
InChI (mnx)InChI=1/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H Image of MNXM32038
SMILES (mnx)[CH:1]1=[C:3]([Cl:13])[C:4]([Cl:14])=[CH:2][C:6]2=[C:5]1[O:19][C:11]1=[C:9]([Cl:17])[C:7]([Cl:15])=[C:8]([Cl:16])[C:10]([Cl:18])=[C:12]1[O:20]2
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:cpd19370
seedM:cpd19370
CHEBI:81502
chebi:81502
kegg.compound:C18100
keggC:C18100
WCYYQNSQJHPVMG-UHFFFAOYSA-N 		1,2,3,4,7,8-Hexachlorodibenzodioxin
1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin
1,2,3,4,7,8-HxCDD
PCDD 66
hmdb:HMDB0244128
WCYYQNSQJHPVMG-UHFFFAOYSA-N 		1,2,3,4,7,8-Hexachlorodibenzo-P-dioxin
1,2,3,4,7,8-HXCDD
1,2,3,4,7,8-Hexachlorodibenzo-p-dioxin
1,2,3,4,7,8-hexachlorooxanthrene
PCDD 66

keggC:M_C18100
seedM:M_cpd19370 		secondary/obsolete/fantasy identifier