Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CC(C)=O)SC1=CC=CC=C1

InChIKey

InChIKey=COCFFEIITJAFID-UHFFFAOYSA-N

Formula

C12H14O3S

Mass

238.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Gamma-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Gamma-keto acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aryl thioether - Gamma-keto acid - Thiophenol ether - Fatty acid ester - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Methyl ester - Carboxylic acid ester - Ketone - Sulfenyl compound - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.

External Descriptors

Not available

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