Structure Information
Structure

Compound Identification

SMILES

OC(=O)CNCP(O)(O)=O.CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O

InChIKey

InChIKey=YPMRKJDZRNWOEJ-UHFFFAOYSA-N

Formula

C17H21N2O12PS

Mass

508.39

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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

Not available

Substituents

Benzoylcyclohexane-1,3-dione - Alpha-amino acid or derivatives - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - 1,3-diketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Organophosphonic acid - Organophosphonic acid derivative - Sulfone - Sulfonyl - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Cyclic ketone - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Monocarboxylic acid or derivatives - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Amine - Organonitrogen compound - Organophosphorus 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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