Esfenvalerate
| PubChem CID | 10342051 |
| Molecular Formula | C25H22ClNO3 |
| Structure |
|
| Synonyms |
ESFENVALERATE
66230-04-4 Asana Fenvalerate (S,S)-isomer Esfenvalerate [ISO] Halmark Es-fenvalerate Sumi-alfa Asana XL (S,S)-Fenvalerate 7F07OXM0PP DTXSID4032667 CHEBI:39346 S-1844 Sumi-.alpha. OMS 3023 Benzeneacetic acid, 4-chloro-a-(1-methylethyl)-,(S)-cyano(3-phenoxyphenyl)methyl ester, (aS)- Esfenvalerate 10 microg/mL in Cyclohexane (S)-cyano(3-phenoxyphenyl)methyl (2S)-2-(4-chlorophenyl)-3-methylbutanoate S 1844 Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (alphaS)- A alpha Fenvalerate alpha Sumiciclin Aalpha Sumicidin A alpha [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate Benzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (.alpha.S)- Fenvalerate A alpha S-5620A alpha S 5602 A alpha UNII-7F07OXM0PP HSDB 6625 SS/RR-Fenvalerate BRN 4275674 A.ALPHA. 1S,1'S-FENVALERATE SCHEMBL26507 ESFENVALERATE, (-)- CHEMBL1891190 DTXCID2012667 NIOSH/CY1576370 S-5602.ALPHA. OMS-3023 Tox21_300785 (S)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-chlorophenyl)-3-methylbutyrate (S)-alpha-Cyano-3-phenoxybenzyl(S)-2-(4-chlorophenyl)-3-methylbutyrate AKOS025310580 (S-(R*,R*))-Cyano(3-phenoxyphenyl)methyl 4-chloro-2-(1-methylethyl)benzeneacetate FENVALERATE (S,S)-ISOMER [MI] NCGC00163956-01 NCGC00163956-02 NCGC00163956-03 NCGC00254689-01 MS-27361 CAS-66230-04-4 HY-129257 CS-0104423 CY15763700 Esfenvalerate 100 microg/mL in Acetonitrile NS00004711 C18147 G12470 Esfenvalerate, PESTANAL(R), analytical standard A835377 Q424851 Z3244525280 (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [(S)-cyano-(3-phenoxyphenyl)methyl] ester (S)-((S)-cyano(3-phenoxyphenyl)methyl) 2-(4-chlorophenyl)-3-methylbutanoate (S)-.ALPHA.-CYANO-3-PHENOXYBENZYL (S)-2-(4-CHLOROPHENYL)ISOVALERATE [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S,S)- Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester, (S-(R*,R*))- |
Computed Descriptors
| IUPAC Name | [(S)-cyano-(3-phenoxyphenyl)methyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate |
| SMILES | CC(C)[C@@H](C1=CC=C(C=C1)Cl)C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| Canonical SMILES | CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3 |
| InChI | InChI=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 |
| InChIKey | NYPJDWWKZLNGGM-RPWUZVMVSA-N |
Computed Properties
Show more
| Molecular Weight | 419.9 g/mol |
| XLogP3 | 6.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 419.129 |
| Monoisotopic Mass | 419.129 |
| Topological Polar Surface Area | 59.3 |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 586 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |