Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC1=C(SC2=CC=CC=C2[N+]([O-])=O)C(=O)N(N1)C1=CC=CC=C1)C(=O)OCC

InChIKey

InChIKey=KRIXTGIXYOMCDN-UHFFFAOYSA-N

Formula

C28H24N4O8S

Mass

576.58

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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 - Phenylpyrazole - Diarylthioether - Benzoate ester - Nitrobenzene - Benzamide - Thiophenol ether - Aryl thioether - Nitroaromatic compound - Benzoyl - Pyrazolinone - Vinylogous amide - Pyrazole - Azole - Heteroaromatic compound - Lactam - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Carboxamide group - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic oxygen compound - Organic salt - 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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