Structure Information
Structure

Compound Identification

SMILES

CCCCCCCCCC(=O)OCCCNC(=O)C1=CC=CC=C1SSC1=CC=CC=C1C(=O)NCCCOC(=O)CCCCCCCCC

InChIKey

InChIKey=DJPULBNYGBQRIS-UHFFFAOYSA-N

Formula

C40H60N2O6S2

Mass

729.05

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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

Direct Parent

O-sulfanylbenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Benzamide - Benzoyl - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organic disulfide - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) 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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