CHEBI:19869 - (1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol
ChEBI ID CHEBI:19869
ChEBI ASCII Name (1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H5Cl3O2
Net Charge 0
Average Mass 215.46080
Monoisotopic Mass 213.93551
InChI InChI=1S/C6H5Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,5-6,10-11H/t5-,6+/m1/s1
InChIKey REPDFJGEZLAWCC-RITPCOANSA-N
SMILES O[C@H]1[C@@H](O)C(Cl)=C(Cl)C=C1Cl
ChEBI Ontology
Outgoing (1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol (CHEBI:19869) has functional parent cis-cyclohexa-3,5-diene-1,2-diol (CHEBI:16190)
(1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol (CHEBI:19869) has parent hydride cyclohexa-1,3-diene (CHEBI:37610)
(1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol (CHEBI:19869) is a organochlorine compound (CHEBI:36683)
IUPAC Name
(1S,2R)-3,4,6-trichlorocyclohexa-3,5-diene-1,2-diol
Synonym Source
3,4,6-trichloro-cis-1,2-dihydroxycyclohexa-3,5-diene UM-BBD
Manual Xrefs Databases
c0484 UM-BBD
C12832 KEGG COMPOUND
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Last Modified
28 July 2014