Compound Identification
SMILES
COCC(O)CS(=O)CC1=CC=C(Cl)C=C1
InChIKey
InChIKey=OZUFXQNJHJMIKD-UHFFFAOYSA-N
Formula
C11H15ClO3S
Mass
262.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzyl sulfoxides
- Level 5 Benzyl alkyl sulfoxides
-
Subclass
Benzyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl alkyl sulfoxides
Alternative Parents
Chlorobenzenes Aryl chlorides Sulfoxides Secondary alcohols Sulfinyl compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary alcohol - Sulfoxide - Sulfinyl compound - Ether - Dialkyl ether - Organosulfur compound - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
External Descriptors
Not available