Compound Identification
SMILES
CC(CCCC(O)=O)NC(=O)C(C)(S)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=XLYZICXYUAUORA-UHFFFAOYSA-N
Formula
C16H21NO4S
Mass
323.41
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
Phenylpropanes Medium-chain fatty acids Benzoyl derivatives Aryl alkyl ketones Thia fatty acids Branched fatty acids Fatty amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Alkylthiols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Benzoyl - Medium-chain fatty acid - Aryl alkyl ketone - Branched fatty acid - Thia fatty acid - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Fatty acid - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - 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