EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:46743 - (1S,2S)-DDT-2,3-dihydrodiol

Default Structure
ChEBI IDCHEBI:46743
ChEBI Name(1S,2S)-DDT-2,3-dihydrodiol
Stars
ASCII Name(1S,2S)-DDT-2,3-dihydrodiol
Secondary ChEBI IDsCHEBI:10465, CHEBI:23280
Last Modified2 October 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H11Cl5O2
Net Charge0
Average Mass388.505
Monoisotopic Mass385.92017
SMILESO[C@@H]1C(Cl)=CC=C(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)[C@@H]1O
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/t11?,12-,13+/m0/s1
InChIKeyGSABQSGIWIDCHM-LWNNLKQOSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,2S)-DDT-2,3-dihydrodiol (CHEBI:46743) is a DDT-2,3-dihydrodiol (CHEBI:46744)
IUPAC Name 
(1S,2S)-3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]cyclohexa-3,5-diene-1,2-diol
Synonyms  Source
cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethaneKEGG COMPOUND
cis-2,3-Dihydrodiol DDTKEGG COMPOUND
Manual XrefsDatabases
c0419UM-BBD
C06649KEGG COMPOUND