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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
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
3-alkylindoles Benzoic acid esters Phenol esters Benzoyl derivatives Dicarboxylic acids and derivatives Sulfonyls Organosulfonic acids Alkanesulfonic acids Guanidines Carboxylic acid esters Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds Organic zwitterions
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