Compound Identification
SMILES
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC1=CC=CC(=C1)C(=O)CC(=O)C(O)=O
InChIKey
InChIKey=NGTWWLGZSAEZTJ-UHFFFAOYSA-N
Formula
C19H17NO8S
Mass
419.4
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
Butyrophenones Sulfanilides Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds Aryl alkyl ketones Gamma-keto acids and derivatives Benzoyl derivatives Beta-diketones Organosulfonamides Alpha-keto acids and derivatives Dicarboxylic acids and derivatives Alpha-hydroxy ketones Aminosulfonyl compounds Carboxylic acid esters Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzenesulfonamide - Benzoate ester - Sulfanilide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - 1,3-diketone - Alpha-keto acid - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Keto acid - Organosulfonic acid amide - Alpha-hydroxy ketone - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic oxide - 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