Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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