Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(OC2=CC=CC=C12)C(=O)NCOC(=O)C1=CC=C(C=C1)C(O)=O

InChIKey

InChIKey=VZAGXLDFTREZIB-UHFFFAOYSA-N

Formula

C21H21NO6

Mass

383.4

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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

Aromatic heteropolycyclic compounds

Substituents

Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Benzoic acid - Benzoyl - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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

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