Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)C1=C(N\N=C2\C(=O)C3=C(NC4=NC(Cl)=NC(NC5=C(C=C(C=C5)S([O-])(=O)=O)C(O)=O)=N4)C=C(C=C3C=C2S([O-])(=O)=O)S([O-])(=O)=O)C=CC2=CC=CC=C12

InChIKey

InChIKey=UMIYRADJGDIKFI-SBWWSWLISA-K

Formula

C31H19ClN7O14S4

Mass

877.22

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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 heteropolycyclic compounds

Substituents

3-sulfobenzoic acid - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Phenylhydrazine - 2,4-diamine-s-triazine - Aryl ketone - Benzoyl - Aniline or substituted anilines - Halo-s-triazine - Chloro-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Triazine - 1,3,5-triazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Amino acid - Amino acid or derivatives - Ketone - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Amine - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organic anion - Aromatic heteropolycyclic 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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