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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:46743 - (1
S
,2
S
)-DDT-2,3-dihydrodiol
Main
ChEBI Ontology
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ChEBI Name
(1
S
,2
S
)-DDT-2,3-dihydrodiol
ChEBI ID
CHEBI:46743
ChEBI ASCII Name
(1S,2S)-DDT-2,3-dihydrodiol
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:23280, CHEBI:10465
Supplier Information
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Formula
C14H11Cl5O2
Net Charge
0
Average Mass
388.49944
Monoisotopic Mass
385.92017
InChI
InChI=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
InChIKey
GSABQSGIWIDCHM-LWNNLKQOSA-N
SMILES
O[C@H]1[C@@H](O)C(=CC=C1Cl)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
ChEBI Ontology
Outgoing
(1
S
,2
S
)-DDT-2,3-dihydrodiol (
CHEBI:46743
)
is a
DDT-2,3-dihydrodiol (
CHEBI:46744
)
IUPAC Name
(1
S
,2
S
)-
3-
chloro-
6-
[2,2,2-
trichloro-
1-
(4-
chlorophenyl)ethyl]cyclohexa-
3,5-
diene-
1,2-
diol
Synonyms
Sources
cis-2,3-Dihydrodiol 1,1,1-Trichloro-2,2-bis(4'-chlorophenyl)ethane
KEGG COMPOUND
cis-2,3-Dihydrodiol DDT
KEGG COMPOUND
Manual Xrefs
Databases
c0419
UM-BBD
C06649
KEGG COMPOUND
View more database links
Last Modified
02 October 2007