CHEBI:39338 - (1R)-trans-(αS)-cypermethrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1R)-trans-(αS)-cypermethrin
ChEBI ID CHEBI:39338
ChEBI ASCII Name (1R)-trans-(alphaS)-cypermethrin
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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+/m1/s1
InChIKey KAATUXNTWXVJKI-GGPKGHCWSA-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 (1R)-trans-(αS)-cypermethrin (CHEBI:39338) is a cyclopropanecarboxylate ester (CHEBI:50351)
(1R)-trans-(αS)-cypermethrin (CHEBI:39338) is enantiomer of (1S)-trans-(αR)-cypermethrin (CHEBI:39337)
Incoming β-cypermethrin (CHEBI:39332) has part (1R)-trans-(αS)-cypermethrin (CHEBI:39338)
ζ-cypermethrin (CHEBI:39334) has part (1R)-trans-(αS)-cypermethrin (CHEBI:39338)
θ-cypermethrin (CHEBI:39333) has part (1R)-trans-(αS)-cypermethrin (CHEBI:39338)
(1S)-trans-(αR)-cypermethrin (CHEBI:39337) is enantiomer of (1R)-trans-(αS)-cypermethrin (CHEBI:39338)
IUPAC Name
(S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Registry Numbers Types Sources
2228067 Beilstein Registry Number Beilstein
8515823 Beilstein Registry Number Beilstein
Last Modified
29 July 2008