Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(C=CC(=C1)S(O)(=O)=O)N=NC(=NN=C1C=C(C=C(C1=O)S(O)(=O)=O)S(O)(=O)=O)C1=CC(NNC2=CC=CC(NC3=C(Cl)C(Cl)=NC(Cl)=N3)=C2)=CC=C1

InChIKey

InChIKey=ANQVLWFWMQHVLK-UHFFFAOYSA-N

Formula

C30H20Cl3N9O12S3

Mass

901.07

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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 heteromonocyclic compounds

Substituents

3-sulfobenzoic acid - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Aniline or substituted anilines - Phenylhydrazine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Azine - Pyrimidine - Imidolactam - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Formazan - Sulfonyl - Amino acid - Ketone - Cyclic ketone - Amino acid or derivatives - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Hydrazine derivative - Organohalogen compound - Organochloride - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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