Compound Identification
SMILES
OCCCCO.COC(=O)C1=CC=C(C=C1)C(=O)OC.CC(OCCCOCCN1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O)C(C)N1C(=O)C2=C(C=C(C=C2)C(O)=O)C1=O
InChIKey
InChIKey=AHINDWKFQNZLPG-UHFFFAOYSA-N
Formula
C41H46N2O16
Mass
822.817
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 p-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
p-Phthalate esters
Alternative Parents
P-phthalic acid and derivatives Phthalimides Benzoic acid esters Isoindoles Benzoyl derivatives N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Methyl esters Dialkyl ethers Carboxylic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Phthalimide - Isoindolone - Benzoate ester - Isoindole or derivatives - Isoindole - Isoindoline - Benzoyl - Carboxylic acid imide, n-substituted - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid imide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors
Not available