Compound Identification
SMILES
[Na+].[Na+].[Na+].CC(=O)NC1=CC(C([O-])=O)=C(C=C1)N=NC(C(C)=O)C(=O)NC1=C(C)C=C(C=C1)C1=CC(C)=C(NC(=O)C(N=NC2=C(C=C(NC(=O)NC3=CC=C(C=C3)S([O-])(=O)=O)C=C2)C([O-])=O)C(C)=O)C=C1
InChIKey
InChIKey=XFPDJDWDAYFSSF-UHFFFAOYSA-K
Formula
C45H38N9Na3O13S
Mass
1013.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
Alpha amino acid amides Biphenyls and derivatives Acetanilides Benzenesulfonic acids and derivatives N-phenylureas 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids N-acetylarylamines Benzoyl derivatives Toluenes 1,3-dicarbonyl compounds Fatty amides Organosulfonic acids Sulfonyls Acetamides Ureas Carboxylic acid salts Azo compounds Secondary carboxylic acid amides Ketones Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic sodium salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Biphenyl - Alpha-amino acid or derivatives - Acetanilide - N-phenylurea - Benzenesulfonate - N-acetylarylamine - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Anilide - Benzoic acid - 1-sulfo,2-unsubstituted aromatic compound - N-arylamide - Benzoyl - Toluene - 1,3-dicarbonyl compound - Fatty acyl - Fatty amide - Organic sulfonic acid or derivatives - Organosulfonic acid - Acetamide - Organosulfonic acid or derivatives - Sulfonyl - Urea - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxamide group - Ketone - Azo compound - Organic alkali metal salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Carbonyl group - Organic oxygen compound - Organic salt - Organic sodium salt - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available