Compound Identification
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C(C=O)C1=NC(=NO1)C(F)(F)F)[N+]([O-])=O
InChIKey
InChIKey=DSSGRMLZODGVMU-UHFFFAOYSA-N
Formula
C13H8F3N3O7S
Mass
407.28
Taxonomic Classification
Taxonomy Tree
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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
Benzenesulfonyl compounds Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 1,3-dicarbonyl compounds Sulfones 1,2,4-oxadiazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organofluorides Organonitrogen compounds Aldehydes Organopnictogen compounds Hydrocarbon derivatives Organic salts Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - 1,2,4-oxadiazole - Azole - Oxadiazole - Sulfone - Heteroaromatic compound - Sulfonyl - Organic nitro compound - C-nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Alkyl halide - Organic salt - Organopnictogen compound - Organic zwitterion - Organic oxide - 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