Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Ca++].[O-]C(=O)C1=CC(N\N=C2/C(=O)C=CC3=CC=CC=C23)=C(C=C1Cl)S([O-])(=O)=O.[O-]C(=O)C1=CC(N\N=C2/C(=O)C=CC3=CC=CC=C23)=C(C=C1Cl)S([O-])(=O)=O

InChIKey

InChIKey=XQNJGOIUVORJSE-GNZPNTMQSA-J

Formula

C34H18CaCl2N4Na2O12S2

Mass

895.61

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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

Not available

Substituents

4-sulfobenzoic acid - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Naphthalene - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Phenylhydrazine - 1-carboxy-2-haloaromatic compound - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Ketone - Carboxylic acid salt - Cyclic ketone - Organic calcium salt - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Organic salt - Organic sodium salt - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic cation - Aromatic homopolycyclic 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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