Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(SC(C)(C)C)C2=C(SC(SC(C)(C)C)=C2C(C2=CC=CC=C2)=C1C(=O)OC)C1=CC=CC=C1

InChIKey

InChIKey=AZTQCSIGBODDJL-UHFFFAOYSA-N

Formula

C32H34O4S3

Mass

578.8

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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

M-sulfanylbenzoic acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzothiophene - 2-benzothiophene - Aryl thioether - Thiophenol ether - Alkylarylthioether - Vinylogous thioester - Thiophene - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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