Compound Identification
SMILES
CC(C)(CO)CO.OCCCCCCO.OC(=O)CCCCC(O)=O.O=C1OC(=O)C2=CC=CC=C12.OC(=O)C1=CC(=CC=C1)C(O)=O
InChIKey
InChIKey=DBNBFKIJSKZBNT-UHFFFAOYSA-N
Formula
C33H46O15
Mass
682.716
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
Phthalic anhydrides Isobenzofuranones Fatty alcohols Benzoic acids Medium-chain fatty acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Meta_phthalic_acid - Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Benzofuranone - Isocoumaran - Fatty alcohol - Benzoic acid - Medium-chain fatty acid - Benzoyl - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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