Compound Identification
SMILES
C[C@@H]1CCC[N+]1(C(O)=O)C(=O)CC(SC(C)=O)C(=O)C1=CC(F)=CC=C1
InChIKey
InChIKey=UJSITDZFGREPPS-NQBUWUNCSA-O
Formula
C18H21FNO5S
Mass
382.43
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
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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
Butyrophenones Pyrrolidine carboxylic acids Aryl alkyl ketones N-acylpyrrolidines Benzoyl derivatives Fluorobenzenes Aryl fluorides Quaternary ammonium salts Thioesters Carbothioic S-esters Carbamic acids and derivatives Sulfenyl compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Quaternary ammonium salt - Pyrrolidine - Carbothioic s-ester - Carbamic acid derivative - Thiocarboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organic cation - Aromatic heteromonocyclic 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