EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:39338
ChEBI Name(1R)-trans-(αS)-cypermethrin
Stars
ASCII Name(1R)-trans-(alphaS)-cypermethrin
Last Modified29 July 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H19Cl2NO3
Net Charge0
Average Mass416.304
Monoisotopic Mass415.07420
SMILESCC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=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
InChIKeyKAATUXNTWXVJKI-GGPKGHCWSA-N
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
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 NumbersSources
Beilstein:2228067Beilstein
Beilstein:8515823Beilstein