Compound Identification
SMILES
CC1=CC=C(SCCC(=O)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=WKPXYVFNQYXQBM-UHFFFAOYSA-N
Formula
C16H15NO5S
Mass
333.36
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
Nitrophenols Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Catechols Nitroaromatic compounds Thiophenol ethers 1-hydroxy-4-unsubstituted benzenoids Toluenes 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organic salts Organonitrogen compounds Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Nitrophenol - Nitrobenzene - Thiophenol ether - Aryl alkyl ketone - Catechol - Benzoyl - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organic oxoazanium - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic cation - 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