Compound Identification
SMILES
CC[C@@H](CS)C(=O)C1=C(Cl)C(Cl)=C(OCC(O)=O)C=C1
InChIKey
InChIKey=NLVBPOXCJUJNNF-ZETCQYMHSA-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
Chlorophenoxyacetates Butyrophenones Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Dichlorobenzenes Phenol ethers Alkyl aryl ethers Aryl chlorides Vinylogous halides Carboxylic acids Monocarboxylic acids and derivatives Alkylthiols Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Chlorophenoxyacetate - Butyrophenone - Phenoxyacetate - Benzoyl - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Aryl alkyl ketone - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Monocarboxylic acid or derivatives - Ether - Alkylthiol - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Organic oxide - 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