Compound Identification
SMILES
OCCOC(CO)C1=C(C=CC(C(O)=O)=C1C(O)CO)C(O)=O
InChIKey
InChIKey=GRFUVACIQZOQRG-UHFFFAOYSA-N
Formula
C14H18O9
Mass
330.289
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 P-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
P-phthalic acid and derivatives
Alternative Parents
Benzylethers Benzoic acids Benzoyl derivatives Secondary alcohols Dialkyl ethers Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Para_phthalic_acid - Benzoic acid - Benzylether - Benzoyl - Secondary alcohol - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Aromatic alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
External Descriptors
Not available