Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC=C(CSC2=CC=CC=C2C(O)=O)C=C1

InChIKey

InChIKey=ZEGMHMKRUZZFSH-UHFFFAOYSA-N

Formula

C17H16O4S

Mass

316.37

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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 - O-sulfanylbenzoic acids and derivatives

Direct Parent

O-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzoate ester - O-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Dicarboxylic acid or derivatives - Carboxylic acid ester - Thioether - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids 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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