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(1S,2S)-DDT-2,3-dihydrodiol

PropertiesImage
MNX_IDMNXM4161 Image of MNXM4161
referencechebi:46743
formulaC14H11Cl5O2
global charge0
mol weight388.505
InChIKeyGSABQSGIWIDCHM-LWNNLKQOSA-N
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
SMILESO[C@@H]1C(Cl)=CC=C(C(C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM4161
SMILES (mnx)[CH:1]1=[CH:3][C:8]([Cl:15])=[CH:4][CH:2]=[C:7]1[CH:11]([C:9]1=[CH:5][CH:6]=[C:10]([Cl:16])[C@@H:13]([OH:21])[C@H:12]1[OH:20])[C:14]([Cl:17])([Cl:18])[Cl:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:46743
chebi:46743
GSABQSGIWIDCHM-LWNNLKQOSA-N 		(1S,2S)-DDT-2,3-dihydrodiol
(1S,2S)-3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]cyclohexa-3,5-diene-1,2-diol
cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane
cis-2,3-Dihydrodiol DDT

kegg.compound:C06649
keggC:C06649
GSABQSGIWIDCHM-LWNNLKQOSA-N 		cis-2,3-Dihydrodiol 1,1,1-trichloro-2,2-bis(4'-chlorophenyl)ethane
cis-2,3-Dihydrodiol DDT

envipath:...c07fd3b7ab76
envipathM:...c07fd3b7ab76
GSABQSGIWIDCHM-LWNNLKQOSA-N 		cis-2,3-Dihydrodiol DDT

seed.compound:cpd04053
seedM:cpd04053
GSABQSGIWIDCHM-LWNNLKQOSA-N 		cis-2,3-Dihydrodiol DDT
cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane

chebi:10465
chebi:23280
keggC:M_C06649
seedM:M_cpd04053 		secondary/obsolete/fantasy identifier