Structure Information
Structure

Compound Identification

SMILES

CCOC1(C)C(COC)CC(=O)C(C(=O)C2=C(C)C(OC)=C(C=C2)S(C)(=O)=O)C1=O

InChIKey

InChIKey=NODOVQCMWAKCTD-UHFFFAOYSA-N

Formula

C21H28O8S

Mass

440.51

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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 homomonocyclic compounds

Substituents

Benzoylcyclohexane-1,3-dione - Benzenesulfonyl group - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - 1,3-diketone - Toluene - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Sulfonyl - Sulfone - Cyclic ketone - Ether - Dialkyl ether - Organic oxide - Organosulfur compound - Hydrocarbon derivative - 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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