Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)\C1=N/NC1=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-SILNSSARSA-N

Formula

C18H16N4O9S2

Mass

496.47

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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 - Pyrazoline - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Organoheterocyclic compound - Hydrazone - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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