Structure Information
Structure

Compound Identification

SMILES

COC1=C(OS(C)(=O)=O)C=C(C=C1)C(C)(C)CC(O)=O

InChIKey

InChIKey=WHQNSQVWAAJHGT-UHFFFAOYSA-N

Formula

C13H18O6S

Mass

302.34

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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 - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Methanesulfonate - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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

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