Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-17 19:34:29 UTC
Update Date2022-08-12 20:09:04 UTC
Metabolite IDMMDBc0054777
Metabolite Identification
Common Name(1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid
Description(1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate belongs to the class of organic compounds known as cyclopropanecarboxylic acids. These are organic compounds containing a carboxyl group attached to a cyclopropane ring. Based on a literature review very few articles have been published on (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate.
Structure
Synonyms
ValueSource
(1S,3R)-3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acidGenerator
Molecular FormulaC8H9Cl2O2
Average Mass208.06
Monoisotopic Mass206.9985085
IUPAC Name(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Traditional Name(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CAS Registry NumberNot Available
SMILES
[H][C@]1(C=C(Cl)Cl)[C@]([H])(C([O-])=O)C1(C)C
InChI Identifier
InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/p-1/t4-,6+/m0/s1
InChI KeyLLMLSUSAKZVFOA-UJURSFKZSA-M