Compound Identification
SMILES
[Al+3].CC[O-].CCOC(=O)C(=C\[N-]C1=CC=CC=C1[N-]\C=C(/C(C)=O)C(=O)OCC)\C(C)=O
InChIKey
InChIKey=KULBPULUISOIBA-UHFFFAOYSA-L
Formula
C22H27AlN2O7
Mass
458.447
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
-
Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
Fatty acid esters Dicarboxylic acids and derivatives Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Enones Enoate esters Acryloyl compounds Ketones Carbene-type 1,3-dipolar compounds Organonitrogen compounds Organic zwitterions Organic oxides Organic aluminium salts Hydrocarbon derivatives Alkoxides
Molecular Framework
Not available
Substituents
Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Fatty acyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organic 1,3-dipolar compound - Carbene-type 1,3-dipolar compound - Organonitrogen compound - Organic aluminium salt - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic salt - Carbonyl group - Organooxygen compound - Alkoxide - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available