Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(Cl)C(SCCCl)C(O)=O
InChIKey
InChIKey=LJFLRVNETZRAHB-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 Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Gamma-keto acids and derivatives Methoxybenzenes Alkyl aryl ethers Thia fatty acids Sulfur mustard compounds Halogenated fatty acids Alpha-chloroketones Dialkylthioethers Carboxylic acids Sulfenyl compounds Monocarboxylic acids and derivatives Organochlorides Organic oxides Alkyl chlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Gamma-keto acid - Phenol ether - Benzoyl - Aryl alkyl ketone - Methoxybenzene - Anisole - Phenoxy compound - Halogenated fatty acid - Sulfur mustard - Thia fatty acid - Alkyl aryl ether - Benzenoid - Keto acid - Monocyclic benzene moiety - Fatty acyl - Alpha-chloroketone - Alpha-haloketone - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organochloride - Organohalogen compound - Alkyl chloride - 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