Compound Identification
SMILES
CC(=O)C1=CC=C(OS(O)(=O)=O)C=C1
InChIKey
InChIKey=HOFGLAYWQRGTKC-UHFFFAOYSA-N
Formula
C8H8O5S
Mass
216.21
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
Phenylsulfates Acetophenones Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Sulfuric acid monoesters Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylsulfate - Arylsulfate - Acetophenone - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Organic sulfuric acid or derivatives - 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