Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(O)C=CC(=C1)S(O)(=O)=O.CCCC1=NC2=CC=CC=C2C(N)=C1CC

InChIKey

InChIKey=GEEVDIALNBBSFP-UHFFFAOYSA-N

Formula

C21H24N2O6S

Mass

432.49

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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

Not available

Substituents

3-sulfobenzoic acid - Sulfosalicylic acid or derivatives - 4-aminoquinoline - Aminoquinoline - Hydroxybenzoic acid - Quinoline - Salicylic acid or derivatives - Salicylic acid - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Pyridine - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Vinylogous acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organooxygen compound - 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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