Compound Identification
SMILES
CC1=C(C=C(Cl)S1)C(O)(CC1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=IKNVNKLMLWAWHY-UHFFFAOYSA-N
Formula
C14H13ClO3S
Mass
296.77
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
2,3,5-trisubstituted thiophenes Benzene and substituted derivatives Aryl chlorides Alpha hydroxy acids and derivatives Tertiary alcohols Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpropanoic-acid - 2,3,5-trisubstituted thiophene - Alpha-hydroxy acid - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Heteroaromatic compound - Thiophene - Tertiary alcohol - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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