Compound Identification
SMILES
CC(C)(CO)CO.O=C1OC(=O)C=C1.CCC(CO)(CO)CO.O=C1OC(=O)C2=CC=CC=C12.OC(=O)C1=CC(=CC=C1)C(O)=O.COC(=O)C1CCC(CC1)C(=O)OC
InChIKey
InChIKey=XDJLABJNOLQLRH-UHFFFAOYSA-N
Formula
C41H54O19
Mass
850.864
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 Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Dihydrofurans 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 - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Methyl ester - Dihydrofuran - Carboxylic acid anhydride - Carboxylic acid ester - 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