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CHEBI:39336 - (1R)-cis-(αS)-cypermethrin

ChEBI IDCHEBI:39336
ChEBI Name(1R)-cis-(αS)-cypermethrin
Stars
ASCII Name(1R)-cis-(alphaS)-cypermethrin
Last Modified29 July 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H19Cl2NO3
Net Charge0
Average Mass416.304
Monoisotopic Mass415.07420
SMILESCC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl
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-/m0/s1
InChIKeyKAATUXNTWXVJKI-NSHGMRRFSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R)-cis-(αS)-cypermethrin (CHEBI:39336) is a cyclopropanecarboxylate ester (CHEBI:50351)
(1R)-cis-(αS)-cypermethrin (CHEBI:39336) is enantiomer of (1S)-cis-(αR)-cypermethrin (CHEBI:39335)
Incoming Relation(s)
α-cypermethrin (CHEBI:39331) has part (1R)-cis-(αS)-cypermethrin (CHEBI:39336)
β-cypermethrin (CHEBI:39332) has part (1R)-cis-(αS)-cypermethrin (CHEBI:39336)
ζ-cypermethrin (CHEBI:39334) has part (1R)-cis-(αS)-cypermethrin (CHEBI:39336)
(1S)-cis-(αR)-cypermethrin (CHEBI:39335) is enantiomer of (1R)-cis-(αS)-cypermethrin (CHEBI:39336)
IUPAC Name 
(S)-cyano(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Registry NumbersSources
Beilstein:8515821Beilstein