Compound Identification
SMILES
CCC(SC)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
InChIKey
InChIKey=NEVMXGDLGIPGER-UHFFFAOYSA-N
Formula
C13H14Cl2O4S
Mass
337.21
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 Phenoxyacetic acid derivatives Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Aryl chlorides Vinylogous halides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Phenoxyacetate - Butyrophenone - Phenoxy compound - Aryl alkyl ketone - Benzoyl - Phenol ether - 1,2-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - 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