Structure Information
Structure

Compound Identification

SMILES

CCN1N=NN=C1SCC1=C(C=CC(C(=O)C2C(=O)CCCC2=O)=C1Cl)S(C)(=O)=O

InChIKey

InChIKey=OCNJTWXUZCDDHW-UHFFFAOYSA-N

Formula

C18H19ClN4O5S2

Mass

470.94

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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 heteromonocyclic compounds

Substituents

Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Aryl thioether - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - 1,3-diketone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Sulfone - Vinylogous halide - Heteroaromatic compound - Azole - Tetrazole - Sulfonyl - Cyclic ketone - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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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