Marvin  08210715442D          

 30 33  0  0  0  0            999 V2000
   -5.0312    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2021    0.7022    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6187    1.2855    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0354    0.7022    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2062    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2062    4.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9207    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9207    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918    4.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2062    2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4918    0.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4918    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7773    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0628    0.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0628   -0.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0628    1.5875    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3484    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0806    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0806    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7950    1.5875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5095    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240    3.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5095    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240    1.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9384    2.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1  3  1  0  0  0  0
 11  3  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
 11  5  1  0  0  0  0
  8  5  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 11 13  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 17 15  1  0  0  0  0
 15 16  3  0  0  0  0
 17 18  1  0  0  0  0
 20 18  2  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  2  0  0  0  0
 21 23  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 27 25  2  0  0  0  0
 25 28  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  2  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <ID>
CHEBI:39283

> <NAME>
cycloprothrin

> <DEFINITION>
A carboxylic ester having 2,2-dichloro-1-phenylcyclopropanecarboxylic acid as the acid component and hydroxy(3-phenoxyphenyl)acetonitrile as the alcohol component.

> <STAR>
3

> <SYNONYM>
(RS)-alpha-Cyano-3-phenoxybenzyl (RS)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropanecarboxylate

> <IUPAC_NAME>
cyano(3-phenoxyphenyl)methyl 2,2-dichloro-1-phenylcyclopropanecarboxylate

> <FORMULA>
C26H21Cl2NO4

> <MASS>
438.30212

> <MONOISOTOPIC_MASS>
437.05855

> <CHARGE>
0

> <SMILES>
ClC1(Cl)CC1(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccccc1

> <INCHI>
InChI=1S/C24H17Cl2NO3/c25-24(26)16-23(24,18-9-3-1-4-10-18)22(28)30-21(15-27)17-8-7-13-20(14-17)29-19-11-5-2-6-12-19/h1-14,21H,16H2

> <INCHIKEY>
LSFUGNKKPMBOMG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8356932

> <CAS_REGISTRY_NUMBER>
63935-38-6

> <CHEMIDPLUS>
63935-38-6

> <KEGG_COMPOUND_ACCESSION>
C18409

> <PUBMED_CITATION>
18072265

$$$$