Compound Identification
SMILES
[O-]S(=O)(=O)C(F)(F)F.O=C(C[S+](C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=WJCGCXKBNDSQRD-UHFFFAOYSA-M
Formula
C21H17F3O4S2
Mass
454.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
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
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Trifluoromethanesulfonates Benzoyl derivatives Aryl alkyl ketones Sulfonyls Organosulfonic acids Methanesulfonates Trihalomethanes Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Trifluoromethanesulfonate - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Trihalomethane - Alkyl halide - Organosulfur compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Halomethane - Hydrocarbon derivative - Organic cation - 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