Compound Identification
SMILES
CC(=O)SCC(CC(O)=O)C1=CC=CC=C1C
InChIKey
InChIKey=XAVQVNUGEXNMKB-UHFFFAOYSA-N
Formula
C13H16O3S
Mass
252.33
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
Toluenes Thia fatty acids Thioesters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Thia fatty acid - Toluene - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thiocarboxylic acid or derivatives - Sulfenyl compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - 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