Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CCOC1=C(Cl)C=C(Cl)C=C1OCCC1CCCN1CC
InChIKey
InChIKey=PGUUVUHWEJYLKT-UHFFFAOYSA-N
Formula
C22H31Cl2NO9
Mass
524.39
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 Phenol ethers Dichlorobenzenes Alkyl aryl ethers N-alkylpyrrolidines Aryl chlorides Alpha hydroxy acids and derivatives Tertiary alcohols Trialkylamines Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - Phenoxy compound - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Alpha-hydroxy acid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - N-alkylpyrrolidine - Hydroxy acid - Pyrrolidine - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Organoheterocyclic compound - Azacycle - Ether - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen 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