Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CNCCC1=CSC(=N1)C1=CC=CC=C1
InChIKey
InChIKey=VKLRINMUHMFYOL-UHFFFAOYSA-N
Formula
C18H22N2O7S
Mass
410.44
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 Alpha hydroxy acids and derivatives Tertiary alcohols Heteroaromatic compounds Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Heteroaromatic compound - Azole - Tertiary alcohol - Thiazole - Organoheterocyclic compound - Azacycle - Carboxylic acid - Secondary aliphatic amine - Secondary amine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - 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