Ketcher 08181511542D 1   1.00000     0.00000     0

 22 23  0     1  0            999 V2000
    8.5260   -6.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0261   -6.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5260   -6.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6601   -5.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6601   -4.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5261   -4.1295    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7940   -4.1295    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4524   -7.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5996   -7.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3920   -5.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3920   -4.6295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2582   -6.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   -5.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2068   -4.4271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2287   -4.6351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0377   -6.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7068   -5.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4857   -3.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6136   -3.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0258   -2.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4381   -1.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7014   -5.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  1  3  1  0     0  0
  1  4  1  6     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
  2  8  1  0     0  0
  2  9  1  0     0  0
  3 10  1  1     0  0
 10 11  2  0     0  0
 10 12  1  0     0  0
 13 12  1  6     0  0
 14 15  2  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 13  1  0     0  0
 13 16  1  0     0  0
 15 18  1  0     0  0
 14 19  1  0     0  0
 19 20  1  0     0  0
 20 21  3  0     0  0
 17 22  2  0     0  0
M  END
> <ID>
CHEBI:87535

> <NAME>
chloroprallethrin

> <DEFINITION>
A carboxylic ester obtained by formal condensation between the carboxy group of (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid and the hydroxy group of (4S)-4-hydroxy-3-methyl-2-(prop-2-yn-1-yl)cyclopent-2-en-1-one.

> <STAR>
3

> <SYNONYM>
(1S)-2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-enyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

> <IUPAC_NAME>
(1S)-2-methyl-4-oxo-3-(prop-2-yn-1-yl)cyclopent-2-en-1-yl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

> <FORMULA>
C17H18Cl2O3

> <MASS>
341.22900

> <MONOISOTOPIC_MASS>
340.06330

> <CHARGE>
0

> <SMILES>
CC1=C(CC#C)C(=O)C[C@@H]1OC(=O)[C@@H]1[C@@H](C=C(Cl)Cl)C1(C)C

> <INCHI>
InChI=1S/C17H18Cl2O3/c1-5-6-10-9(2)13(8-12(10)20)22-16(21)15-11(7-14(18)19)17(15,3)4/h1,7,11,13,15H,6,8H2,2-4H3/t11-,13+,15+/m1/s1

> <INCHIKEY>
RQNZCZHWQZMZER-ZLDLUXBVSA-N

> <CAS_REGISTRY_NUMBER>
399572-87-3

> <REAXYS_REGISTRY_NUMBER>
19055374

> <CHEMIDPLUS>
399572-87-3

> <PESTICIDES_ACCESSION>
chloroprallethrin

$$$$