Structure Information
Structure

Compound Identification

SMILES

O=C(CCCCC[N+]1=CC=CC=C1)SC1=CC=CC=C1C(=O)NCC1=CC2=C(OCO2)C=C1

InChIKey

InChIKey=MVKNRRWPEXQMQK-UHFFFAOYSA-O

Formula

C26H27N2O4S

Mass

463.57

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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 heteropolycyclic compounds

Substituents

O-sulfanylbenzoic acid or derivatives - Benzamide - Benzodioxole - Thiophenol ester - Aryl thioether - Benzoyl - Fatty acyl thioester - Pyridine - Pyridinium - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid or derivatives - Sulfenyl compound - Oxacycle - Acetal - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic 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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