Compound Identification
SMILES
OCCN1CC1.CC(C)(CO)CO.CCC(CO)(CO)CO.OC(=O)C1=CC(=CC=C1)C(O)=O.OC(=O)CCCCCCCCC(O)=O
InChIKey
InChIKey=KPKUIJLXJKYNCE-UHFFFAOYSA-N
Formula
C33H59NO14
Mass
693.828
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Phthalic acid and derivatives
- Level 6 M-phthalic acid and derivatives
-
Level 5
Phthalic acid and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Phthalic acid and derivatives
Direct Parent
M-phthalic acid and derivatives
Alternative Parents
Benzoic acids Medium-chain fatty acids Benzoyl derivatives Dicarboxylic acids and derivatives Trialkylamines 1,2-aminoalcohols Carboxylic acids Aziridines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Meta_phthalic_acid - Benzoic acid - Medium-chain fatty acid - Benzoyl - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Aziridine - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-phthalic acid and derivatives. These are aromatic compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 2.
External Descriptors
Not available