Structure Information
Structure

Compound Identification

SMILES

OC(=O)CSC(CC(=O)C1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=SQEDQFNEQSTKSQ-UHFFFAOYSA-N

Formula

C12H12O5S

Mass

268.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Thiodiacetic_acid - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - Thia fatty acid - Keto acid - Fatty acyl - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Sulfenyl compound - Thioether - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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