Structure Information
Structure

Compound Identification

SMILES

[Na+].COC(=O)C1C(CC([O-])=CC1=O)C1CCOCC1

InChIKey

InChIKey=VMXQKLKMSBAUDO-UHFFFAOYSA-M

Formula

C13H17NaO5

Mass

276.264

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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 - Cyclic ketones

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Cyclohexenone - 1,3-dicarbonyl compound - Oxane - Vinylogous acid - Methyl ester - Carboxylic acid ester - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

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