Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)CCC1=CSC(=N1)C1=CC=C(OC)C=C1
InChIKey
InChIKey=AYWZCYKVCHLIDQ-UHFFFAOYSA-N
Formula
C22H30N2O8S
Mass
482.55
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
Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers 2,4-disubstituted thiazoles Alpha hydroxy acids and derivatives Tertiary alcohols Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aralkylamine - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Thiazole - Tertiary alcohol - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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