Compound Identification
SMILES
COC1=C(NC(=O)CC(=O)C2=CC(N)=CC=C2)C=C(C=C1)S(O)(=O)=O
InChIKey
InChIKey=HUWZJDFGTKZUCX-UHFFFAOYSA-N
Formula
C16H16N2O6S
Mass
364.37
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
-
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
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Anilides Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Anisoles Aryl alkyl ketones N-arylamides Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers 1,3-dicarbonyl compounds Fatty amides Organosulfonic acids Sulfonyls Amino acids and derivatives Secondary carboxylic acid amides Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Anilide - Methoxyaniline - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - N-arylamide - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Fatty amide - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Primary amine - 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