Compound Identification
SMILES
CC(O)CO.OCCOCCO.O=C1OC(=O)C=C1.C=CC1=CC=CC=C1.OC(=O)C1=CC(=CC=C1)C(O)=O
InChIKey
InChIKey=LRPKHGGVEXGTSV-UHFFFAOYSA-N
Formula
C27H34O12
Mass
550.557
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 Styrenes Benzoyl derivatives Dicarboxylic acids and derivatives Dihydrofurans Aromatic hydrocarbons Secondary alcohols Dialkyl ethers Cyclic olefins Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Meta_phthalic_acid - Benzoic acid - Styrene - Benzoyl - Dicarboxylic acid or derivatives - Aromatic hydrocarbon - Dihydrofuran - Secondary alcohol - Ether - Dialkyl ether - Cyclic olefin - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Unsaturated hydrocarbon - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Olefin - Alcohol - Hydrocarbon - 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