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CHEBI:46744 - DDT-2,3-dihydrodiol

ChEBI IDCHEBI:46744
ChEBI NameDDT-2,3-dihydrodiol
Stars
DefinitionThe cyclohexadienediol formed by dearomatization of 2,3-dihydroxy-DDT by reduction at the C(2) and C(3) positions.
Last Modified5 April 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H11Cl5O2
Net Charge0
Average Mass388.505
Monoisotopic Mass385.92017
SMILESOC1C(Cl)=CC=C(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)C1O
InChIInChI=1S/C14H11Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11-13,20-21H
InChIKeyGSABQSGIWIDCHM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
DDT-2,3-dihydrodiol (CHEBI:46744) has functional parent 2,3-dihydroxy-DDT (CHEBI:46745)
DDT-2,3-dihydrodiol (CHEBI:46744) is a cyclohexadienediol (CHEBI:23469)
Incoming Relation(s)
(1S,2S)-DDT-2,3-dihydrodiol (CHEBI:46743) is a DDT-2,3-dihydrodiol (CHEBI:46744)
IUPAC Name 
3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]cyclohexa-3,5-diene-1,2-diol