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CHEBI:39346 - esfenvalerate

ChEBI IDCHEBI:39346
ChEBI Nameesfenvalerate
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H22ClNO3
Net Charge0
Average Mass419.908
Monoisotopic Mass419.12882
SMILESCC(C)[C@H](C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1
InChIKeyNYPJDWWKZLNGGM-RPWUZVMVSA-N
Roles Classification
Biological Roles:
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
esfenvalerate (CHEBI:39346) has role agrochemical (CHEBI:33286)
esfenvalerate (CHEBI:39346) has role pyrethroid ester insecticide (CHEBI:39116)
esfenvalerate (CHEBI:39346) is a fenvalerate (CHEBI:5014)
IUPAC Name 
(S)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate
Synonym  Source
Fenvalerate (S,S)-isomerChemIDplus
Manual XrefsDatabases
C18147KEGG COMPOUND
269PPDB
Registry NumbersSources
Beilstein:4275674Beilstein
CAS:66230-04-4ChemIDplus
CAS:66230-04-4KEGG COMPOUND