Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(NS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O)C=C1)C(=O)OCC(=O)C1=CC=CC=C1

InChIKey

InChIKey=ZQMLMJWFRHSFHD-UHFFFAOYSA-N

Formula

C21H16N2O8S

Mass

456.43

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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 - O-hydroxybenzoic acid ester - Sulfanilide - Salicylic acid or derivatives - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Benzoyl - Aryl alkyl ketone - Nitroaromatic compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Organosulfur compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - 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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