CHEBI:23310 - (1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol
ChEBI ID CHEBI:23310
ChEBI ASCII Name (1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol
Definition A cyclohexadienediol in which the two hydroxy groups are ortho and cis to one another, with chlorine atoms on each of the other four ring carbons.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H4Cl4O2
Net Charge 0
Average Mass 249.90556
Monoisotopic Mass 247.89654
InChI InChI=1S/C6H4Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h5-6,11-12H/t5-,6+
InChIKey QMPJUPQCSWMOMB-OLQVQODUSA-N
SMILES O[C@H]1[C@@H](O)C(Cl)=C(Cl)C(Cl)=C1Cl
ChEBI Ontology
Outgoing (1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol (CHEBI:23310) has functional parent 1,2,3,4-tetrachlorobenzene (CHEBI:18855)
(1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol (CHEBI:23310) is a cyclohexadienediol (CHEBI:23469)
(1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol (CHEBI:23310) is a organochlorine compound (CHEBI:36683)
IUPAC Name
(1R,2S)-3,4,5,6-tetrachlorocyclohexa-3,5-diene-1,2-diol
Synonym Source
cis-chlorobenzene dihydrodiol UM-BBD
Manual Xrefs Databases
c0775 UM-BBD
C18238 KEGG COMPOUND
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Last Modified
28 July 2014