Structure Information
Structure

Compound Identification

SMILES

OCC1=CC=C(C=C1)C1CC(CSC2=CC=CC=C2C(O)=O)OC(O1)C1=CC=C(NC(=O)CCCCC(O)=O)C=C1

InChIKey

InChIKey=FPZJTVVSBFQRIL-UHFFFAOYSA-N

Formula

C31H33NO8S

Mass

579.66

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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 heteromonocyclic compounds

Substituents

O-sulfanylbenzoic acid - Anilide - Benzoic acid - Thiophenol ether - Medium-chain fatty acid - N-arylamide - Aryl thioether - Benzyl alcohol - Benzoyl - Heterocyclic fatty acid - Hydroxy fatty acid - Alkylarylthioether - Fatty acyl - Fatty acid - Vinylogous thioester - Fatty amide - Dicarboxylic acid or derivatives - Meta-dioxane - Carboxamide group - Secondary carboxylic acid amide - Thioether - Acetal - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Sulfenyl compound - Organoheterocyclic compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organosulfur compound - Aromatic heteromonocyclic 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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