Compound Identification
SMILES
CCCCCCOC(=O)C1=C(C(=O)OCC)C(C(=O)OCC)=C(C(=O)OCC)C(C(O)=O)=C1C(O)=O
InChIKey
InChIKey=XUBQCVUDYQSXQZ-UHFFFAOYSA-N
Formula
C24H30O12
Mass
510.492
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
Phthalate esters
- Level 7 o-Phthalate esters
-
Level 6
Phthalate esters
-
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 - Phthalate esters
Direct Parent
o-Phthalate esters
Alternative Parents
O-phthalic acid and derivatives Benzoic acid esters Benzoic acids Benzoyl derivatives Carboxylic acid esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Ortho-phthalic acid ester - Ortho_phthalic_acid - Benzoate ester - Benzoic acid - Benzoyl - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-phthalate esters. These are ester derivatives of o-phthalic acids, which are based on a benzene 1,2-dicarboxylic acid skeleton.
External Descriptors
Not available