Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(SCCC(=O)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=WKPXYVFNQYXQBM-UHFFFAOYSA-N

Formula

C16H15NO5S

Mass

333.36

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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 - Nitrophenol - Nitrobenzene - Thiophenol ether - Aryl alkyl ketone - Catechol - Benzoyl - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Organic salt - 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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