Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=C(NCCCCCCCCCCCSC2=CC=C(C=C2)C(O)=O)C=C1

InChIKey

InChIKey=CYOGWQVCDGDMQJ-UHFFFAOYSA-N

Formula

C25H33NO4S

Mass

443.6

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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

Aminobenzoic acid - Aminobenzoic acid or derivatives - P-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Alkylarylthioether - Dicarboxylic acid or derivatives - Amino acid or derivatives - Amino acid - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Thioether - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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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