Structure Information
Structure

Compound Identification

SMILES

CSC1=NN=C(C(=O)N1N)C(C)(C)C.CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O

InChIKey

InChIKey=LFQMBXOXXIYXQZ-UHFFFAOYSA-N

Formula

C22H27ClN4O6S2

Mass

543.05

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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 - Benzenesulfonyl group - Benzoyl - Aryl thioether - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Alkylarylthioether - 1,3-diketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazine - 1,3-dicarbonyl compound - Benzenoid - 1,2,4-triazine - Vinylogous halide - Heteroaromatic compound - Sulfone - Sulfonyl - Lactam - Cyclic ketone - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic nitrogen 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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