Structure Information
Structure

Compound Identification

SMILES

O[C@@](CC(=O)C=CC1=CC=CS1)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=WANRNSKSNHIDKE-HNNXBMFYSA-N

Formula

C16H13F3O2S

Mass

326.33

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones

Direct Parent

b'-hydroxy-alpha,beta-unsaturated ketones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

B'-hydroxy-alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Heteroaromatic compound - Acryloyl-group - Enone - Thiophene - Tertiary alcohol - Fluorohydrin - Halohydrin - Ketone - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Alcohol - Alkyl fluoride - Alkyl halide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as b'-hydroxy-alpha,beta-unsaturated ketones. These are alpha,beta-unsaturated ketones that carry a hydroxyl group at the beta'-position.

External Descriptors

Not available

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