Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCCCCOC1=C(\C=C\C(O)=O)N=C(CSC2=CC=CC(=C2)C(O)=O)C=C1

InChIKey

InChIKey=BQCPHLQDONUUKK-FBMGVBCBSA-N

Formula

C28H37NO5S

Mass

499.67

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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 - M-sulfanylbenzoic acids and derivatives

Direct Parent

M-sulfanylbenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

M-sulfanylbenzoic acid - Benzoic acid - Aryl thioether - Benzoyl - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Pyridine - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Thioether - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.

External Descriptors

Not available

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