Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:49:44 UTC
Update Date2024-04-30 19:43:54 UTC
Metabolite IDMMDBc0029991
Metabolite Identification
Common Name2,5-Dichloro-carboxymethylenebut-2-en-4-olide
Description2,5-dichloro-carboxymethylenebut-2-en-4-olide belongs to the class of Aryl Chlorides. These are organic compounds containing the acyl chloride functional group. (inferred from compound structure)
Structure
SynonymsNot Available
Molecular FormulaC6H2Cl2O4
Average Mass208.984
Monoisotopic Mass207.933013966
IUPAC Name2-chloro-2-(4-chloro-5-oxo-2,5-dihydrofuran-2-ylidene)acetic acid
Traditional Namechloro(4-chloro-5-oxofuran-2-ylidene)acetic acid
CAS Registry NumberNot Available
SMILES
OC(=O)C(Cl)=C1OC(=O)C(Cl)=C1
InChI Identifier
InChI=1S/C6H2Cl2O4/c7-2-1-3(12-6(2)11)4(8)5(9)10/h1H,(H,9,10)
InChI KeyXJQKWSUIZRECMR-UHFFFAOYSA-N