Compound Identification
SMILES
COC(=O)C(=CC(=[O+][O-])C1=CC=C(Br)C=C1)C(=O)OC
InChIKey
InChIKey=JUYQFICWRIFEDF-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
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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
Direct Parent
Aryl ketones
Alternative Parents
Fatty acid esters Bromobenzenes Dicarboxylic acids and derivatives Aryl bromides Methyl esters Enones Enoate esters Acryloyl compounds Carbonyl oxides Carboximidic acids Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aryl ketone - Fatty acid ester - Halobenzene - Bromobenzene - Aryl bromide - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Enone - Acryloyl-group - Enoate ester - Methyl ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Carbonyl oxide - Carboxylic acid ester - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboximidic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic salt - Organobromide - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available