Compound Identification
SMILES
OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CNCCC1=CSC(=N1)C1=CC=CC=C1
InChIKey
InChIKey=VKLRINMUHMFYOL-UHFFFAOYSA-K
Formula
C18H19N2O7S
Mass
407.42
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
Aralkylamines 2,4-disubstituted thiazoles Benzene and substituted derivatives Tertiary alcohols Heteroaromatic compounds Carboxylic acid salts Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Azole - Tertiary alcohol - Thiazole - Heteroaromatic compound - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Amine - Organic oxide - 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