Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(=O)CC(=O)C1=CC=C(S1)C#CC1=CC=CC=C1

InChIKey

InChIKey=PGGDIKVBBKPCJV-UHFFFAOYSA-N

Formula

C18H14O4S

Mass

326.37

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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 heteromonocyclic compounds

Substituents

Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid ester - 2,5-disubstituted thiophene - 1,3-diketone - Alpha-keto acid - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Thiophene - Heteroaromatic compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic 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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