Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)[C@H](Br)[C@H](Br)C(O)=O
InChIKey
InChIKey=ZLMNCWVKKNTEIG-BDAKNGLRSA-N
Formula
C11H10Br2O4
Mass
366.005
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
Butyrophenones Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Gamma-keto acids and derivatives Methoxybenzenes Alkyl aryl ethers Halogenated fatty acids Alpha-haloketones Alpha-halocarboxylic acids Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Alkyl bromides Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Anisole - Phenoxy compound - Benzoyl - Methoxybenzene - Gamma-keto acid - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Halogenated fatty acid - Benzenoid - Monocyclic benzene moiety - Keto acid - Fatty acyl - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Alpha-haloketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organobromide - Organohalogen compound - Alkyl bromide - 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