Structure Information
Structure

Compound Identification

SMILES

CSC1(C)CC(C)(C)C(=O)C(C(=O)C2=C(C=C(Cl)C=C2)[N+]([O-])=O)C1=O

InChIKey

InChIKey=HXTWISNKYAPSKN-UHFFFAOYSA-N

Formula

C17H18ClNO5S

Mass

383.84

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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 - Alkyl-phenylketones

Direct Parent

Benzoylcyclohexane-1,3-diones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Benzoylcyclohexane-1,3-dione - Aromatic monoterpenoid - Monoterpenoid - Monocyclic monoterpenoid - Nitrobenzene - Nitroaromatic compound - Aryl alkyl ketone - Benzoyl - Chlorobenzene - Halobenzene - 1,3-diketone - 1,3-dicarbonyl compound - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - C-nitro compound - Cyclic ketone - Organic nitro compound - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic salt - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoylcyclohexane-1,3-diones. These are alkyl-phenylketones where the alkyl group is a cyclohexane 1,3-dione.

External Descriptors

Not available

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