Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(C(=O)C(O)=O)=C1SC\C=C\C#CC(C)(C)C

InChIKey

InChIKey=FPNGMXALYBZDOJ-FNORWQNLSA-N

Formula

C18H20O3S

Mass

316.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoyl derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoyl derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Aryl thioether - Benzoyl - Aryl ketone - Thiophenol ether - Alkylarylthioether - Toluene - Alpha-keto acid - Vinylogous thioester - Keto acid - Alpha-hydroxy ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).

External Descriptors

Not available

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