Compound Identification
SMILES
OC=C(Cl)C=CC(=O)C(O)=O
InChIKey
InChIKey=MKQLZCILXXKHEB-UHFFFAOYSA-N
Formula
C6H5ClO4
Mass
176.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Medium-chain keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain keto acids and derivatives
Alternative Parents
Hydroxy fatty acids Halogenated fatty acids Unsaturated fatty acids Alpha-keto acids and derivatives Enones Alpha-hydroxy ketones Acryloyl compounds Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain keto acid - Halogenated fatty acid - Hydroxy fatty acid - Alpha-keto acid - Fatty acyl - Unsaturated fatty acid - Acryloyl-group - Alpha-hydroxy ketone - Enone - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available