Compound Identification
SMILES
COC(=O)C1(CC1S(=O)C1=CC=CC=C1)C(=O)OC
InChIKey
InChIKey=YNICJPAZVSKFBD-UHFFFAOYSA-N
Formula
C13H14O5S
Mass
282.31
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
Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Methyl esters Sulfoxides Sulfinyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenyl sulfoxide - Dicarboxylic acid or derivatives - Cyclopropanecarboxylic acid or derivatives - Methyl ester - Sulfoxide - Carboxylic acid ester - Sulfinyl compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - 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