Structure Information
Structure

Compound Identification

SMILES

CC(=O)SC[C@H](CC(=O)C1=CC=C(C)C=C1)C(=O)OCC1=CC=C(Br)C=C1

InChIKey

InChIKey=WUUGTDXSEUKACI-SFHVURJKSA-N

Formula

C21H21BrO4S

Mass

449.36

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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 - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Benzyloxycarbonyl - Aryl alkyl ketone - Gamma-keto acid - Benzoyl - Fatty acid ester - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Keto acid - Carboxylic acid ester - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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

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