Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].CC1=NN(C(=O)C1N=NC1=C(C=C(Cl)C(=C1)C([O-])=O)S([O-])(=O)=O)C1=CC=C(C=C1)S(=O)(=O)CCOS([O-])(=O)=O

InChIKey

InChIKey=JVWFJQBGRJXMOM-UHFFFAOYSA-K

Formula

C19H14ClN4Na3O12S3

Mass

690.94

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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

4-sulfobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-sulfobenzoic acid - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyrazolinone - Sulfuric acid monoester - Sulfate-ester - Aryl chloride - Aryl halide - Alkyl sulfate - Sulfuric acid ester - Organic sulfonic acid or derivatives - Sulfone - Pyrazoline - Organosulfonic acid or derivatives - Vinylogous halide - Organic sulfuric acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Carboxylic acid salt - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic sodium salt - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-sulfobenzoic acids. These are sulfobenzoic acid carrying the sulfonyl group at the 4-position of the benzene group.

External Descriptors

Not available

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