Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(NNC2=C3C(=O)C=C(C=C3C=CC2=N)S(O)(=O)=O)=C(C=C1)C(=O)OCC

InChIKey

InChIKey=XFRVUKSSVOTIPI-UHFFFAOYSA-N

Formula

C22H21N3O8S

Mass

487.48

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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 homopolycyclic compounds

Substituents

Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoyl - Phenylhydrazine - Vinylogous amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Ketimine - Ketone - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Imine - Hydrazine derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homopolycyclic 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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