Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.FC1=CC=C(C=C1)C(=O)CCCN1CCC2(CC1)SC(C1=CC=CC=C21)C1=CC=CC=C1F
InChIKey
InChIKey=VPCGKMAJRMIFAJ-WLHGVMLRSA-N
Formula
C32H31F2NO5S
Mass
579.66
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 Phenylbutylamines Aryl alkyl ketones Benzoyl derivatives Aralkylamines Fluorobenzenes Gamma-amino ketones Unsaturated fatty acids Dicarboxylic acids and derivatives Piperidines Aryl fluorides Trialkylamines Dialkylthioethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
Alkyl-phenylketone - Phenylbutylamine - Butyrophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Fluorobenzene - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Aryl halide - Benzenoid - Unsaturated fatty acid - Gamma-aminoketone - Piperidine - Aryl fluoride - Fatty acid - Fatty acyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Thioether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Organofluoride - 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