Structure Information
Structure

Compound Identification

SMILES

OC1=C(C=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C1=CC=CC=C1)[N+]([O-])=O

InChIKey

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