Structure Information
Structure

Compound Identification

SMILES

[Fe++].[CH]1[CH][CH][CH][CH]1.CCOC(=O)[C]1[CH][CH][CH][CH]1

InChIKey

InChIKey=RQIQIWFMHWJTIS-UHFFFAOYSA-N

Formula

C13H14FeO2

Mass

258.097

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Carboxylic acid derivatives

Intermediate Tree Nodes

Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters

Direct Parent

Enoate esters

Alternative Parents

Molecular Framework

Not available

Substituents

Enoate ester - Organic transition metal salt - Monocarboxylic acid or derivatives - Cyclic olefin - Cycloalkene - Organic oxygen compound - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Olefin - Organic cation - Hydrocarbon - Aliphatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.

External Descriptors

Not available

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