Compound Identification
SMILES
O[C@@H](CC(=O)C1=CC=CC=C1)[C@@H](CC(O)=O)SC1=CC=CC=C1
InChIKey
InChIKey=BPKGQCQIMRGDJU-DLBZAZTESA-N
Formula
C18H18O4S
Mass
330.4
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 Medium-chain keto acids and derivatives Thiophenol ethers Benzoyl derivatives Aryl alkyl ketones Thia fatty acids Hydroxy fatty acids Alkylarylthioethers Beta-hydroxy ketones Secondary alcohols Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Medium-chain keto acid - Aryl thioether - Benzoyl - Aryl alkyl ketone - Thiophenol ether - Alkylarylthioether - Thia fatty acid - Hydroxy fatty acid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Beta-hydroxy ketone - Secondary alcohol - Carboxylic acid - Carboxylic acid derivative - Thioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Organosulfur compound - Alcohol - Hydrocarbon derivative - 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