Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC(C(CS(O)(=O)=O)C1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=SWCJHXAOQAHDHE-UHFFFAOYSA-N

Formula

C13H16O7S

Mass

316.32

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-phenylpropanoic-acid - Medium-chain fatty acid - Branched fatty acid - Thia fatty acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - 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

Previous Back Next