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CHEBI:28974 - (1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol

ChEBI IDCHEBI:28974
ChEBI Name(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
Stars
ASCII Name(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
DefinitionA cyclohexenediol that has cis hydroxy groups at C-1 and C-2, double bonds at C-3 and C-5, and a 4-chlorophenyl substituent at C-3, the configurations at C-1 and C-2 being S and R respectively.
Secondary ChEBI IDsCHEBI:10463, CHEBI:23278
Last Modified7 April 2020
DownloadsMolfile
FormulaC12H11ClO2
Net Charge0
Average Mass222.671
Monoisotopic Mass222.04476
SMILESO[C@@H]1C(c2ccc(Cl)cc2)=CC=C[C@@H]1O
InChIInChI=1S/C12H11ClO2/c13-9-6-4-8(5-7-9)10-2-1-3-11(14)12(10)15/h1-7,11-12,14-15H/t11-,12+/m0/s1
InChIKeyAUTJOUWLKSMLFP-NWDGAFQWSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) has functional parent (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol (CHEBI:32922)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) has functional parent 4'-chlorobiphenyl-2,3-diol (CHEBI:28979)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) is a cyclohexadienediol (CHEBI:23469)
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol (CHEBI:28974) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol
Synonym  Source
cis-2,3-Dihydro-2,3-dihydroxy-4'-chlorobiphenylKEGG COMPOUND
Manual XrefsDatabases
C06585KEGG COMPOUND
c0178UM-BBD
Registry NumbersSources
CAS:119386-12-8UM-BBD