Compound Identification
SMILES
CC(=O)NC1=C(C=CC(=C1)S(O)(=O)=O)C(O)=O
InChIKey
InChIKey=QNDMAZMTITWLDT-UHFFFAOYSA-N
Formula
C9H9NO6S
Mass
259.23
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
4-sulfobenzoic acids Acetanilides 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Benzoic acids N-acetylarylamines Benzoyl derivatives Vinylogous amides Sulfonyls Acetamides Organosulfonic acids Secondary carboxylic acid amides Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-sulfobenzoic acid - Acylaminobenzoic acid or derivatives - Sulfobenzoic acid - Acetanilide - Benzenesulfonate - N-acetylarylamine - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoic acid - Anilide - 1-sulfo,2-unsubstituted aromatic compound - Benzoyl - N-arylamide - Acetamide - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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