Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCCSC(=O)C1(CCC1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=NYKJYZQJDRBCFC-UHFFFAOYSA-N
Formula
C22H29Cl2NO8S
Mass
538.43
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
Dichlorobenzenes Aryl chlorides Alpha hydroxy acids and derivatives Tertiary alcohols Trialkylamines Thioesters Carbothioic S-esters Amino acids and derivatives Sulfenyl compounds Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Alpha-hydroxy acid - Hydroxy acid - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Amino acid or derivatives - Carbothioic s-ester - Tertiary aliphatic amine - Tertiary amine - Thiocarboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic 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