Structure Information
Structure

Compound Identification

SMILES

O[C@@H](CCCC(O)=O)[C@H](SC1=CC=C(C=C1)C(O)=O)\C=C/CCC1=CC=CC=C1

InChIKey

InChIKey=ZDMDUDMRTMWMGF-WLXWOJTHSA-N

Formula

C23H26O5S

Mass

414.52

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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 - P-sulfanylbenzoic acids and derivatives

Direct Parent

P-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Medium-chain fatty acid - Hydroxy fatty acid - Thia fatty acid - Alkylarylthioether - Fatty acyl - Unsaturated fatty acid - Fatty acid - Dicarboxylic acid or derivatives - Secondary alcohol - Thioether - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Alcohol - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as p-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 4, respectively.

External Descriptors

Not available

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