Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(SC2=CC=CC=C2C(=O)OCC(=O)C2=CC=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=PGWMBDJIBAGZOY-UHFFFAOYSA-N

Formula

C21H14N2O7S

Mass

438.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyl-phenylketone - Diarylthioether - Benzoate ester - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Thiophenol ether - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid derivative - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic salt - Organic nitrogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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