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ChEBI
> Main
CHEBI:3905 - Coumaphos syn-dimer
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ChEBI Ontology
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ChEBI Name
Coumaphos syn-dimer
ChEBI ID
CHEBI:3905
Stars
This entity has been manually annotated by a third party.
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Formula
C28H32Cl2O10P2S2
Net Charge
0
Average Mass
725.534
Monoisotopic Mass
724.02892
InChI
InChI=1S/C28H32Cl2O10P2S2/c1-
7-
33-
41(43,34-
8-
2)
39-
17-
11-
13-
19-
21(15-
17)
37-
23(31)
27(29)
25(19,5)
28(30)
24(32)
38-
22-
16-
18(12-
14-
20(22)
26(27,28)
6)
40-
42(44,35-
9-
3)
36-
10-
4/h11-
16H,7-
10H2,1-
6H3/t25-
,26+,27-
,28+/m0/s1
InChIKey
KPPSNIXPCINDBZ-ZVBOOHQUSA-N
SMILES
CCOP(=S)(OCC)Oc1ccc2c(OC(=O)[C@@]3(Cl)[C@@]4(C)c5ccc(OP(=S)(OCC)OCC)cc5OC(=O)[C@@]4(Cl)[C@@]23C)c1
ChEBI Ontology
Outgoing
Coumaphos syn-dimer (
CHEBI:3905
)
is a
hydroxycoumarin (
CHEBI:37912
)
Synonym
Source
Coumaphos syn-dimer
KEGG COMPOUND
Manual Xref
Database
C11027
KEGG COMPOUND
View more database links
Last Modified
28 July 2014