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CHEBI:35434 - 3,3',5,5'-tetrachlorobiphenyl-4,4'-diol

ChEBI IDCHEBI:35434
ChEBI Name3,3',5,5'-tetrachlorobiphenyl-4,4'-diol
Stars
DefinitionA member of the class of hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'.
Secondary ChEBI IDsCHEBI:32920, CHEBI:34318, CHEBI:47580, CHEBI:49810
Last Modified22 October 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC12H6Cl4O2
Net Charge0
Average Mass323.990
Monoisotopic Mass321.91219
SMILESOc1c(Cl)cc(-c2cc(Cl)c(O)c(Cl)c2)cc1Cl
InChIInChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H
InChIKeyYCYDXOVJXVALHY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol (CHEBI:35434) has functional parent 3,3',5,5'-tetrachlorobiphenyl (CHEBI:35445)
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol (CHEBI:35434) has functional parent biphenyl-4,4'-diol (CHEBI:34367)
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol (CHEBI:35434) is a dichlorobenzene (CHEBI:23697)
3,3',5,5'-tetrachlorobiphenyl-4,4'-diol (CHEBI:35434) is a hydroxybiphenyls (CHEBI:24681)
IUPAC Name 
3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'-diol
Synonyms  Source
3,3',5,5'-Tetrachloro-4,4'-biphenyldiolKEGG COMPOUND
3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOLPDBeChem
Manual XrefsDatabases
C14194KEGG COMPOUND
DB03346DrugBank
PCQPDBeChem
Registry NumbersSources
Beilstein:1886240Beilstein
CAS:13049-13-3ChemIDplus
CAS:13049-13-3KEGG COMPOUND