Compound Identification
SMILES
CC(=O)SCC(=O)NC1=CC=C(C=C1)C(=O)CCC(O)=O
InChIKey
InChIKey=YVMXFAIEIYBEME-UHFFFAOYSA-N
Formula
C14H15NO5S
Mass
309.34
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 Anilides N-arylamides Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Thioesters Secondary carboxylic acid amides Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Anilide - Benzoyl - Gamma-keto acid - Aryl alkyl ketone - N-arylamide - Monocyclic benzene moiety - Benzenoid - Keto acid - Carboxamide group - Carbothioic s-ester - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Thiocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - 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