Compound Identification
SMILES
CCOC(=O)C(=O)CC(=O)C(Br)C(Br)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QBIOHOVAXBAEJE-UHFFFAOYSA-N
Formula
C14H13Br2ClO4
Mass
440.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
-
Subclass
Gamma-keto acids and derivatives
- Level 5 3-Acylpyruvic acids
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Subclass
Gamma-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
Gamma-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
3-Acylpyruvic acids
Alternative Parents
Fatty acid esters Chlorobenzenes Beta-diketones Aryl chlorides Alpha-keto acids and derivatives Alpha-haloketones Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-acylpyruvic acid - 1,3-diketone - Chlorobenzene - Fatty acid ester - Halobenzene - Alpha-keto acid - Aryl chloride - Aryl halide - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Alpha-haloketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organochloride - Alkyl bromide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl halide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-acylpyruvic acids. These are compounds containing a pyruvic acid substituted at the 3-position by an acyl group.
External Descriptors
Not available