Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)C1=CC=C(OS(N)(=O)=O)C=C1
InChIKey
InChIKey=WBWQCLUHKMYBDT-UHFFFAOYSA-N
Formula
C14H13NO4S
Mass
291.32
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
Biphenyls and derivatives Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Organic sulfuric acids and derivatives Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Biphenyl - Acetophenone - Phenoxy compound - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Organic nitrogen 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