Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(=O)CSCCCCCCC1=CC=C(O)C=C1

InChIKey

InChIKey=RVOBOVHFTWGQCM-UHFFFAOYSA-N

Formula

C17H24O4S

Mass

324.44

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Keto acids and derivatives

Subclass

Beta-keto acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta-keto acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

1-hydroxy-2-unsubstituted benzenoid - Beta-keto acid - Fatty acid ester - Fatty acid methyl ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.

External Descriptors

Not available

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