Structure Information
Structure

Compound Identification

SMILES

O[C@@H](CCCC(O)=O)[C@H](SC1=CC=C(C=C1)C(O)=O)\C=C/CC1=CC=C(OCCCCOC2=CC=CC=C2)C=C1

InChIKey

InChIKey=KEWBMVLTBPZNGB-YKSCZNRFSA-N

Formula

C32H36O7S

Mass

564.69

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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 - Phenoxy compound - Aryl thioether - Benzoyl - Medium-chain fatty acid - Thiophenol ether - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Hydroxy fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Secondary alcohol - Thioether - Ether - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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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