Compound Identification
SMILES
CC(O)CO.CC(C)(CO)CO.O=C1OC(=O)C=C1.OC(=O)CCCCC(O)=O.C1C=CC2C3CC(C=C3)C12.OC(=O)C1=CC(=CC=C1)C(O)=O
InChIKey
InChIKey=LUVPOFLEYMIARA-UHFFFAOYSA-N
Formula
C36H50O15
Mass
722.781
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 Dihydrofurans Secondary alcohols Polycyclic hydrocarbons Carboxylic acids Unsaturated aliphatic hydrocarbons Primary alcohols Organic oxides Olefins 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 - Dihydrofuran - Polycyclic hydrocarbon - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Olefin - Carbonyl group - Alcohol - Hydrocarbon - Aromatic heteropolycyclic 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