Compound Identification
SMILES
CC1=C(C)CC(SC1)C(=O)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LSEMEXNKWWTYIW-UHFFFAOYSA-N
Formula
C14H15NO3S
Mass
277.34
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
-
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
Nitrobenzenes Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Thiopyrans Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylthioethers Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Thiopyran - Benzenoid - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic oxoazanium - Thioether - Dialkylthioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic 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