Structure Information
Structure

Compound Identification

SMILES

CS([O-])(=O)=O.NC(N)=[NH+]C1=CC=C(C=C1)C(=O)OC1=CC2=C(C=C1)N=CC2CC(=O)OCC(O)=O

InChIKey

InChIKey=CUIUOUOFBGETQU-UHFFFAOYSA-N

Formula

C21H22N4O9S

Mass

506.49

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Aminobenzoic acids and derivatives

Direct Parent

Guanidinobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Guanidinobenzoic acid or derivatives - Benzoate ester - Phenol ester - 3-alkylindole - Indole - Indole or derivatives - Benzoyl - Dicarboxylic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Organosulfonic acid - Sulfonyl - Carboxylic acid ester - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organosulfur compound - Imine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).

External Descriptors

Not available

Previous Back Next