Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)CC(=O)C1(O)CSC=C1

InChIKey

InChIKey=QLAZFYCNSCEXNI-UHFFFAOYSA-N

Formula

C9H12O4S

Mass

216.25

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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

Aliphatic heteromonocyclic compounds

Substituents

Beta-keto acid - Fatty acid ester - Fatty acyl - 1,3-dicarbonyl compound - Alpha-hydroxy ketone - 2,3-dihydrothiophene - Tertiary alcohol - Carboxylic acid ester - Thioenolether - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organooxygen compound - Organic oxygen compound - Aliphatic heteromonocyclic 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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