Structure Information
Structure

Compound Identification

SMILES

ClC1=C(SC2=C1C=CC(Cl)=C2)C(=O)OCC(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=WKNITQBJAAACLF-UHFFFAOYSA-N

Formula

C17H9BrCl2O3S

Mass

444.12

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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 heteropolycyclic compounds

Substituents

Alkyl-phenylketone - 1-benzothiophene - Benzothiophene - Aryl alkyl ketone - Benzoyl - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - 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

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