Structure Information
Structure

Compound Identification

SMILES

CC(C(O)=O)C1=CC=C(C=C1)C1OCCS1

InChIKey

InChIKey=ZSOLNVZNFCVCJV-UHFFFAOYSA-N

Formula

C12H14O3S

Mass

238.3

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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 heteromonocyclic compounds

Substituents

2-phenylpropanoic-acid - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Benzenoid - Monocyclic benzene moiety - Oxathiolane - Monothioacetal - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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

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