Structure Information
Structure

Compound Identification

SMILES

[Li+].[Na+].[Cr+3].CC1=NN(C(=O)[C-]1\N=N/C1=CC=C(C=C1C([O-])=O)S([O-])(=O)=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1\N=C/C1=CC(=CC=C1[O-])N=NC1=C(Cl)C=CC(Cl)=C1

InChIKey

InChIKey=JFBDUXURSILRLA-MVKDLOINSA-J

Formula

C37H22Cl2CrLiN7NaO9S

Mass

893.51

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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

Not available

Substituents

3-sulfobenzoic acid - Alpha-amino acid amide - Phenylpyrazole - Alpha-amino acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Phenoxide - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Chlorobenzene - Branched fatty acid - Fatty acyl - Fatty acid - Unsaturated fatty acid - Pyrazolinone - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazoline - Pyrazole - Azole - Lactam - Carboxylic acid salt - Azo compound - Organic metal halide - Organic lithium salt - Azacycle - Organic alkali metal salt - Organic transition metal salt - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic chromium salt - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Aromatic heteromonocyclic 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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