Compound Identification
SMILES
[Fe].[CH-]1[CH-][CH-][CH-][CH-]1.OC1=CC=CC=C1C#CC(=O)C1=C[CH-]C(OCC=C)=C1
InChIKey
InChIKey=KZOHQIDSLYLTQD-UHFFFAOYSA-N
Formula
C22H18FeO3
Mass
386.231
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones
Direct Parent
Aryl ketones
Alternative Parents
Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aromatic hydrocarbons Alpha,beta-unsaturated ketones Organic transition metal salts Unsaturated hydrocarbons Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Aromatic hydrocarbon - Alpha,beta-unsaturated ketone - Ether - Organic transition metal salt - Unsaturated hydrocarbon - Organic oxide - Hydrocarbon derivative - Hydrocarbon - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available