Compound Identification
SMILES
[Br-].O=C(C[N+]1=C(CCOC(=O)C2=CC=CC=C2)SC=C1)C1=CC=CC=C1
InChIKey
InChIKey=SQCXOPJKRPRDLW-UHFFFAOYSA-M
Formula
C20H18BrNO3S
Mass
432.33
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
Benzoic acid esters Benzoyl derivatives Aryl alkyl ketones Thiazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic bromide salt - Organic cation - 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