Compound Identification
SMILES
OCCCCO.OC(=O)CCCCC(O)=O.OC(=O)C1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=VVLUUGNZSQRYFP-UHFFFAOYSA-N
Formula
C18H26O10
Mass
402.396
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
Benzoic acids Medium-chain fatty acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Para_phthalic_acid - Benzoic acid - Benzoyl - Medium-chain fatty acid - Fatty acyl - Fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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