Compound Identification
SMILES
OC1=C(C=C(NS(=O)(=O)C2=CC=CC(=C2)[N+]([O-])=O)C=C1)C(=O)OCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=ZQMLMJWFRHSFHD-UHFFFAOYSA-N
Formula
C21H16N2O8S
Mass
456.43
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
o-Hydroxybenzoic acid esters Sulfanilides Salicylic acid and derivatives Benzenesulfonamides Benzenesulfonyl compounds Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Vinylogous acids Aminosulfonyl compounds Carboxylic acid esters Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - O-hydroxybenzoic acid ester - Sulfanilide - Salicylic acid or derivatives - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Benzoyl - Aryl alkyl ketone - Nitroaromatic compound - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - C-nitro compound - Carboxylic acid ester - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Carboxylic acid derivative - Organosulfur compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Organic oxide - Organic zwitterion - 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