Structure Information
Structure

Compound Identification

SMILES

[Na+].[Na+].[Na+].[Cr+3].CC1=NN(C(=O)\C1=N/NC1=C(C=CC(=C1)S([O-])(=O)=O)C([O-])=O)C1=C(C)C=C(C=C1)S([O-])(=O)=O

InChIKey

InChIKey=FVZFFKXYYNKHLH-GGTPEFNNSA-K

Formula

C18H13CrN4Na3O9S2

Mass

614.4

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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

4-sulfobenzoic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Phenylhydrazine - Toluene - Pyrazolinone - Sulfonyl - Organic sulfonic acid or derivatives - Vinylogous amide - Organosulfonic acid or derivatives - Organosulfonic acid - Pyrazoline - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Carboxylic acid - Hydrazone - Organic alkali metal salt - Organic transition metal salt - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic chromium salt - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Carbonyl group - Organic salt - 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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