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1,2,3,7,8,9-Hexachlorodibenzofuran

PropertiesImage
MNX_IDMNXM32054 Image of MNXM32054
referencechebi:81510
formulaC12H2Cl6O
global charge0
mol weight374.865
InChIKeyPYUSJFJVDVSXIU-UHFFFAOYSA-N
InChIInChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H
SMILESClC1=CC2=C(C(Cl)=C1Cl)C1=C(C=C(Cl)C(Cl)=C1Cl)O2
MNX internals
InChI (mnx)InChI=1/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H Image of MNXM32054
SMILES (mnx)[CH:1]1=[C:3]([Cl:13])[C:9]([Cl:15])=[C:11]([Cl:17])[C:7]2=[C:5]1[O:19][C:6]1=[CH:2][C:4]([Cl:14])=[C:10]([Cl:16])[C:12]([Cl:18])=[C:8]12
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:cpd19378
seedM:cpd19378
CHEBI:81510
chebi:81510
kegg.compound:C18108
keggC:C18108
PYUSJFJVDVSXIU-UHFFFAOYSA-N
1,2,3,7,8,9-Hexachlorodibenzofuran
1,2,3,7,8,9-HxCDF
PCDF 124
hmdb:HMDB0244139
PYUSJFJVDVSXIU-UHFFFAOYSA-N
1,2,3,7,8,9-Hexachlorodibenzofuran
1,2,3,7,8,9-HXCDF
3,4,5,11,12,13-hexachloro-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2,4,6,9,11-hexaene
PCDF 124

keggC:M_C18108
seedM:M_cpd19378
secondary/obsolete/fantasy identifier