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Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(=CC(NC2=C(N)C(NNS(=O)(=O)C3=CC=C(C)C=C3)=NC=N2)=C1)C(=O)OC

InChIKey

InChIKey=WOLNLPPGFVTXFE-UHFFFAOYSA-N

Formula

C21H22N6O6S

Mass

486.5

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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

m-Phthalate esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Meta-phthalic acid ester - Meta_phthalic_acid - Aminobenzoic acid or derivatives - Benzenesulfonamide - Benzoate ester - Tosyl compound - Benzenesulfonyl group - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Toluene - Pyrimidine - Imidolactam - Sulfonohydrazide - Hydrazinosulfonyl compound - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Carboxylic acid ester - Amino acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as m-phthalate esters. These are ester derivatives of m-phthalic acids, which are based on a benzene 1,3-dicarboxylic acid skeleton.

External Descriptors

Not available

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