Structure Information
Structure

Compound Identification

SMILES

CC1=NN(CC2=C(C=CC(C(=O)C3C(=O)CCCC3=O)=C2Cl)S(C)(=O)=O)N=N1

InChIKey

InChIKey=WJZLDAVANCZRKM-UHFFFAOYSA-N

Formula

C17H17ClN4O5S

Mass

424.86

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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 - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - 1,3-diketone - Aryl halide - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Aryl chloride - Vinylogous halide - Heteroaromatic compound - Tetrazole - Sulfonyl - Sulfone - Azole - Cyclic ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic oxide - 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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