Mrv0541 11111414012D          

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M  END
> <ID>
CHEBI:5135

> <NAME>
fluvalinate

> <STAR>
3

> <SYNONYM>
Fluvalinate

> <IUPAC_NAME>
cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]valinate

> <FORMULA>
C26H22ClF3N2O3

> <MASS>
502.91300

> <MONOISOTOPIC_MASS>
502.12710

> <CHARGE>
0

> <SMILES>
CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

> <INCHI>
InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3

> <INCHIKEY>
INISTDXBRIBGOC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
69409-94-5

> <KEGG_COMPOUND_ACCESSION>
C10989

$$$$