Structure Information
Structure

Compound Identification

SMILES

COC(=O)C=CSC1=CC=CC=C1C(=O)OC

InChIKey

InChIKey=GYYIALVSJPOYFZ-UHFFFAOYSA-N

Formula

C12H12O4S

Mass

252.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzoate ester - O-sulfanylbenzoic acid or derivatives - Aryl thioether - Benzoyl - Vinylogous thioester - Acrylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Thioenolether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.

External Descriptors

Not available

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