Compound Identification
SMILES
OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CN1CCCN=C1\C=C\C1=CC=CS1
InChIKey
InChIKey=YJGGCARNRYGSPA-IPZCTEOASA-K
Formula
C17H19N2O7S
Mass
395.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Imidolactams Hydropyrimidines Thiophenes Tertiary alcohols Heteroaromatic compounds Carboxylic acid salts Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic anions
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Tertiary alcohol - Thiophene - Heteroaromatic compound - Carboxylic acid salt - Organoheterocyclic compound - Carboximidamide - Azacycle - Amidine - Carboxylic acid amidine - Carboxylic acid - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available