Compound Identification
SMILES
C[C@@H](OC(=O)\C=C\C1=CC2=C(OCO2)C=C1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=QRWCIRWFBGEOTR-AHAUYKDXSA-N
Formula
C19H15BrO5
Mass
403.228
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
Cinnamic acid esters Coumaric acids and derivatives Phenylpropanes Benzodioxoles Styrenes Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Bromobenzenes Fatty acid esters Aryl bromides Enoate esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Benzodioxole - Phenylpropane - Benzoyl - Styrene - Aryl alkyl ketone - Bromobenzene - Fatty acid ester - Halobenzene - Alpha-acyloxy ketone - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Oxacycle - Aldehyde - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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