Structure Information
Structure

Compound Identification

SMILES

NC1=NC(NC2=CC=CC3=C2C(=O)\C(=N/NC2=C(C=C4CCCC4=C2)S(O)(=O)=O)C(=C3)S(O)(=O)=O)=NC(NC2=C(C=CC(=C2)S(O)(=O)=O)C(O)=O)=N1

InChIKey

InChIKey=RQXDWACFOQEVMU-PNEAAFPUSA-N

Formula

C29H24N8O12S3

Mass

772.74

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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 heteropolycyclic compounds

Substituents

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