Compound Identification
SMILES
OC(=O)C(SCCCl)C(Cl)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=XHIFMOUXWQCECY-UHFFFAOYSA-N
Formula
C12H12Cl2O3S
Mass
307.19
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
Butyrophenones Aryl alkyl ketones Benzoyl derivatives Gamma-keto acids and derivatives Thia fatty acids Sulfur mustard compounds Halogenated fatty acids Alpha-chloroketones Dialkylthioethers Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Alkyl chlorides Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Halogenated fatty acid - Thia fatty acid - Sulfur mustard - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Keto acid - Alpha-haloketone - Alpha-chloroketone - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Alkyl halide - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Alkyl chloride - Organohalogen compound - Organochloride - 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