Structure Information
Structure

Compound Identification

SMILES

[H+].[Na+].[Na+].[Cr+3].NC1=C(N=NC2=C([O-])C(=CC(=C2)S([O-])(=O)=O)C([O-])=O)C2=C(C=C1)C(=O)\C(=N/NC1=CC(=CC(=C1[O-])S([O-])(=O)=O)[N+]([O-])=O)C(=C2)S([O-])(=O)=O

InChIKey

InChIKey=YGGDOZGKSPHPBF-VHJICMFDSA-I

Formula

C23H11CrN6Na2O16S3

Mass

821.52

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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 homopolycyclic compounds

Substituents

3-sulfobenzoic acid - Sulfosalicylic acid or derivatives - Metal p-nitrophenoxide - Naphthalene - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - Benzoyl - Aryl ketone - Phenoxide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Vinylogous acid - Amino acid - Azo compound - Organic nitro compound - Carboxylic acid salt - C-nitro compound - Amino acid or derivatives - Ketone - Organic alkali metal salt - Organic transition metal salt - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic chromium salt - Organic sodium salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic cation - Aromatic homopolycyclic 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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