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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Carboxylic acid derivatives
-
Level 5
Carboxylic acid esters
-
Level 6
Alpha,beta-unsaturated carboxylic esters
- Level 7 Enoate esters
-
Level 6
Alpha,beta-unsaturated carboxylic esters
-
Level 5
Carboxylic acid esters
-
Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Organic transition metal salts Monocarboxylic acids and derivatives Cycloalkenes Unsaturated aliphatic hydrocarbons Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
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