Compound Identification
SMILES
C[S+](C)C(C1C2=[N+]([O-])ON=C2C(C=C1[N+]([O-])=O)=[N+]([O-])[O-])C(=O)C1=CC=CC=C1
InChIKey
InChIKey=GKQDYOUKNGIAIP-UHFFFAOYSA-N
Formula
C16H14N4O7S
Mass
406.37
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
Benzoxadiazoles Aryl alkyl ketones Benzoyl derivatives Furoxans Heteroaromatic compounds C-nitro compounds Nitronic acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aldehydes Organosulfur compounds Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoxadiazole - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Furoxan - Benzenoid - Heteroaromatic compound - Furazan - Oxadiazole - Azole - Organic nitro compound - C-nitro compound - Nitronic acid - Azacycle - Oxacycle - Organoheterocyclic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxide - Organic salt - Aldehyde - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic zwitterion - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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