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CHEBI:87535 - chloroprallethrin

ChEBI IDCHEBI:87535
ChEBI Namechloroprallethrin
Stars
DefinitionA 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.
Last Modified28 October 2016
SubmitterSteve
DownloadsMolfile
FormulaC17H18Cl2O3
Net Charge0
Average Mass341.234
Monoisotopic Mass340.06330
SMILESC#CCC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)CC1=O
InChIInChI=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
InChIKeyRQNZCZHWQZMZER-ZLDLUXBVSA-N
Roles Classification
Biological Role:
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
chloroprallethrin (CHEBI:87535) has role agrochemical (CHEBI:33286)
chloroprallethrin (CHEBI:87535) has role pyrethroid ester insecticide (CHEBI:39116)
chloroprallethrin (CHEBI:87535) is a cyclic ketone (CHEBI:3992)
chloroprallethrin (CHEBI:87535) is a cyclopropanecarboxylate ester (CHEBI:50351)
chloroprallethrin (CHEBI:87535) is a enone (CHEBI:51689)
chloroprallethrin (CHEBI:87535) is a organochlorine compound (CHEBI:36683)
chloroprallethrin (CHEBI:87535) is a terminal acetylenic compound (CHEBI:73477)
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
Synonym  Source
(1S)-2-methyl-4-oxo-3-prop-2-ynylcyclopent-2-enyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylateAlan Wood's Pesticides
Manual XrefsDatabases
chloroprallethrinAlan Wood's Pesticides
Registry NumbersSources
Reaxys:19055374Reaxys
CAS:399572-87-3ChemIDplus