Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O

InChIKey

InChIKey=JLCPQHXCWCDUFZ-UHFFFAOYSA-N

Formula

C15H14N2O8S2

Mass

414.4

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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 - Acetanilide - Benzenesulfonamide - Sulfanilide - N-acetylarylamine - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - N-arylamide - Benzoyl - Organosulfonic acid amide - Acetamide - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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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