Compound Identification
SMILES
CCCCCC(=O)OC(CC(O)=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SKXTWTULGYDIFW-UHFFFAOYSA-N
Formula
C15H19ClO4
Mass
298.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Benzyloxycarbonyls Fatty acid esters Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Carboxylic acid esters Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzyloxycarbonyl - Chlorobenzene - Fatty acid ester - Halobenzene - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organochloride - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available