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Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(Br)=CC(SSC2=C(O)C(=CC(Br)=C2)C(O)=O)=C1O

InChIKey

InChIKey=GKQXDQUJKZJORV-UHFFFAOYSA-N

Formula

C14H8Br2O6S2

Mass

496.14

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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 homomonocyclic compounds

Substituents

M-sulfanylbenzoic acid - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - 4-halophenol - 4-bromophenol - Benzoyl - Halobenzene - Bromobenzene - Phenol - Aryl halide - Aryl bromide - Vinylogous acid - Organic disulfide - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic 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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