CHEBI:39337 - (1S)-trans-(αR)-cypermethrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S)-trans-(αR)-cypermethrin
ChEBI ID CHEBI:39337
ChEBI ASCII Name (1S)-trans-(alphaR)-cypermethrin
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H19Cl2NO3
Net Charge 0
Average Mass 416.29660
Monoisotopic Mass 415.07420
InChI InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20+/m0/s1
InChIKey KAATUXNTWXVJKI-CMKODMSKSA-N
SMILES CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1
ChEBI Ontology
Outgoing (1S)-trans-(αR)-cypermethrin (CHEBI:39337) is a cyclopropanecarboxylate ester (CHEBI:50351)
(1S)-trans-(αR)-cypermethrin (CHEBI:39337) is enantiomer of (1R)-trans-(αS)-cypermethrin (CHEBI:39338)
Incoming β-cypermethrin (CHEBI:39332) has part (1S)-trans-(αR)-cypermethrin (CHEBI:39337)
θ-cypermethrin (CHEBI:39333) has part (1S)-trans-(αR)-cypermethrin (CHEBI:39337)
(1R)-trans-(αS)-cypermethrin (CHEBI:39338) is enantiomer of (1S)-trans-(αR)-cypermethrin (CHEBI:39337)
IUPAC Name
(R)-cyano(3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Registry Number Type Source
8347984 Beilstein Registry Number Beilstein
Last Modified
29 July 2008