Marvin  08220712132D          

 29 31  0  0  1  0            999 V2000
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    4.4335   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  9 10  2  0  0  0  0
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 10 11  1  0  0  0  0
 13 14  3  0  0  0  0
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 17 16  2  0  0  0  0
 16 18  1  0  0  0  0
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 18 19  2  0  0  0  0
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 22 24  1  0  0  0  0
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 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <ID>
CHEBI:4034

> <NAME>
cyfluthrin

> <DEFINITION>
A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile.

> <STAR>
3

> <SYNONYM>
Cyfluthrin; (R,S)-alpha-Cyano-4-fluoro-3-phenoxybenzyl-(1R,S)-cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

> <IUPAC_NAME>
cyano(4-fluoro-3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

> <FORMULA>
C22H18Cl2FNO3

> <MASS>
434.28706

> <MONOISOTOPIC_MASS>
433.06478

> <CHARGE>
0

> <SMILES>
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1

> <INCHI>
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3

> <INCHIKEY>
QQODLKZGRKWIFG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2788149

> <CAS_REGISTRY_NUMBER>
68359-37-5

> <REAXYS_REGISTRY_NUMBER>
2788149

> <CHEMIDPLUS>
68359-37-5

> <KEGG_COMPOUND_ACCESSION>
C10982

> <KEGG_DRUG_ACCESSION>
D07761

> <PUBMED_CITATION>
17912691; 18383791

$$$$