Compound Identification
SMILES
OCCCCO.COC(=O)C1=CC=C(C=C1)C(=O)OC.O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1
InChIKey
InChIKey=OZYZHDRFXIPIDY-UHFFFAOYSA-N
Formula
C26H35N3O12
Mass
581.575
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
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Level 6
Phthalate esters
- Level 7 p-Phthalate esters
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Level 6
Phthalate esters
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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 Benzoic acid esters Benzoyl derivatives Triazinones 1,3,5-triazines Heteroaromatic compounds Methyl esters Ureas Azacyclic compounds Epoxides Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides Organonitrogen compounds
Molecular Framework
Not available
Substituents
Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Triazinone - Triazine - 1,3,5-triazine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Urea - Azacycle - Ether - Oxirane - Dialkyl ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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