Structure Information
Structure

Compound Identification

SMILES

CCN(N=NC1=C(OC)C=CC(Cl)=C1)C1=C(C=C(C=C1)S(O)(=O)=O)C(O)=O

InChIKey

InChIKey=CGPBWNUXYCVLLO-UHFFFAOYSA-N

Formula

C16H16ClN3O6S

Mass

413.83

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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 - Benzoic acid - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Methoxyaniline - Benzoyl - Phenoxy compound - Phenol ether - Phenylhydrazine - Anisole - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Vinylogous amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen 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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