Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O.CCCC1=NN2C(C=C1)=NC(Cl)=C2S(=O)(=O)NC(=O)NC1=NC(OC)=CC(OC)=N1

InChIKey

InChIKey=RZDXBQLFSXOVFJ-UHFFFAOYSA-N

Formula

C30H31ClN8O12S2

Mass

795.19

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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 - Pyrimidinyl-2-sulfonylurea - Nitrobenzene - Benzenesulfonyl group - Benzoyl - Nitroaromatic compound - Aryl alkyl ketone - Alkyl aryl ether - Sulfonylurea - 1,3-diketone - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridazine - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - Aryl chloride - Aminosulfonyl compound - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Azole - Heteroaromatic compound - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Azacycle - Ether - Organic zwitterion - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic 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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