Compound Identification
SMILES
COC(=O)C1(OC1C(=O)C1=CC=C(Br)C=C1)C(=O)OC
InChIKey
InChIKey=LCEAPLXWKSBZSG-UHFFFAOYSA-N
Formula
C13H11BrO6
Mass
343.129
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
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 - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Oxirane carboxylic acids Dicarboxylic acids and derivatives Aryl bromides Methyl esters Oxacyclic compounds Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Dicarboxylic acid or derivatives - Keto acid - Methyl ester - Carboxylic acid ester - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organobromide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available