Compound Identification
SMILES
COC(=O)C(C(C)C(C(C)=O)[S@@](=O)C1=CC=C(C)C=C1)C(C)=O
InChIKey
InChIKey=PCEMSJYFHVTIDO-BYJAARMCSA-N
Formula
C17H22O5S
Mass
338.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl sulfoxides
Alternative Parents
Toluenes Fatty acid esters Beta-keto acids and derivatives 1,3-dicarbonyl compounds Methyl esters Sulfoxides Ketones Sulfinyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenyl sulfoxide - Beta-keto acid - Fatty acid ester - Toluene - Keto acid - Fatty acyl - 1,3-dicarbonyl compound - Methyl ester - Sulfoxide - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfinyl compound - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
External Descriptors
Not available