Compound Identification
SMILES
[Ti].CC[OH2+].CC[OH2+].CCOC(=[OH+])[CH-]C(=[OH+])C12CC3CC(CC(C3)C1)C2.CCOC(=[OH+])[CH-]C(=[OH+])C12CC3CC(CC(C3)C1)C2
InChIKey
InChIKey=MBUZEKDBPIYXCQ-UHFFFAOYSA-T
Formula
C34H60O8Ti
Mass
644.711
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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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
Carboxylic acid esters Organic transition metal salts Monocarboxylic acids and derivatives Enolates Carboximidic acids Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Beta-keto acid - Carboxylic acid ester - Carboximidic acid - Carboxylic acid derivative - Enolate - Monocarboxylic acid or derivatives - Organic transition metal salt - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Primary alcohol - Organic salt - Alcohol - Organic cation - Aliphatic homopolycyclic 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