Compound Identification
SMILES
BrC1=CC=C(COC(=O)CCCCCC(=O)OCC(=O)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=CFNTURHEGQFFBH-UHFFFAOYSA-N
Formula
C22H22Br2O5
Mass
526.221
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
Benzyloxycarbonyls Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Bromobenzenes Alpha-acyloxy ketones Dicarboxylic acids and derivatives Aryl bromides Carboxylic acid esters Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzyloxycarbonyl - Benzoyl - Aryl alkyl ketone - Alpha-acyloxy ketone - Halobenzene - Fatty acid ester - Bromobenzene - Aryl bromide - Benzenoid - Fatty acyl - Aryl halide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic homomonocyclic 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