Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones

Direct Parent

Aryl ketones

Alternative Parents

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

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