Compound Identification
SMILES
CC(=O)NC1=C(C)C=C(C(=O)CS(O)(=O)=O)C(C)=C1
InChIKey
InChIKey=ZCYXTCPEWMEMPR-UHFFFAOYSA-N
Formula
C12H15NO5S
Mass
285.31
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
Acetanilides N-acetylarylamines p-Xylenes Benzoyl derivatives Aryl alkyl ketones Sulfonyls Organosulfonic acids Alkanesulfonic acids Acetamides Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetanilide - N-acetylarylamine - Anilide - N-arylamide - Aryl alkyl ketone - Benzoyl - Xylene - P-xylene - Benzenoid - Monocyclic benzene moiety - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Acetamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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