Compound Identification
SMILES
ClC1=C(SC2=C1C=CC(Cl)=C2)C(=O)OCC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=WKNITQBJAAACLF-UHFFFAOYSA-N
Formula
C17H9BrCl2O3S
Mass
444.12
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
1-benzothiophenes Thiophene carboxylic acids and derivatives Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl chlorides Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1-benzothiophene - Benzothiophene - Aryl alkyl ketone - Benzoyl - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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