Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)C1=NNC1=C(C=CC(=C1)S([O-])(=O)=O)C(O)=O)C1=C(C)C=C(C=C1)S([O-])(=O)=O

InChIKey

InChIKey=ZZFBHJRYYQSCRS-UHFFFAOYSA-L

Formula

C18H14N4O9S2

Mass

494.45

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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 - Benzenesulfonyl group - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - Phenylhydrazine - Toluene - Pyrazolinone - Vinylogous amide - Pyrazoline - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic anion - 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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