Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(Br)C=CC(=C1)S(O)(=O)=O

InChIKey

InChIKey=ONWAGDITKNAKCC-UHFFFAOYSA-N

Formula

C7H5BrO5S

Mass

281.08

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzenesulfonic acids and derivatives

Intermediate Tree Nodes

Sulfobenzoic acids

Direct Parent

3-sulfobenzoic acids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

3-sulfobenzoic acid - Halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - 1-carboxy-2-haloaromatic compound - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous halide - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organooxygen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 3-position of the benzene group.

External Descriptors

Not available

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