Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@]1(CC(C)=C(C)CS1=O)C(C)=O

InChIKey

InChIKey=HQNQXYYNUBIVCP-WHUIICBVSA-N

Formula

C12H18O4S

Mass

258.33

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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 - Thiopyran - Carboxylic acid ester - Ketone - Sulfoxide - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen 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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