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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
- 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
Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
Direct Parent
b'-hydroxy-alpha,beta-unsaturated ketones
Alternative Parents
Beta-hydroxy ketones Benzene and substituted derivatives Thiophenes Tertiary alcohols Heteroaromatic compounds Enones Acryloyl compounds Fluorohydrins Organofluorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
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