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CHEBI:3905 - Coumaphos syn-dimer

ChEBI IDCHEBI:3905
ChEBI NameCoumaphos syn-dimer
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC28H32Cl2O10P2S2
Net Charge0
Average Mass725.542
Monoisotopic Mass724.02892
SMILESCCOP(=S)(OCC)Oc1ccc2c(c1)OC(=O)[C@]1(Cl)[C@@]2(C)[C@]2(Cl)C(=O)Oc3cc(OP(=S)(OCC)OCC)ccc3[C@@]21C
InChIInChI=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
InChIKeyKPPSNIXPCINDBZ-ZVBOOHQUSA-N
ChEBI Ontology
Outgoing Relation(s)
Coumaphos syn-dimer (CHEBI:3905) is a hydroxycoumarin (CHEBI:37912)
Synonym  Source
Coumaphos syn-dimerKEGG COMPOUND
Manual XrefsDatabases
C11027KEGG COMPOUND