Compound Identification
SMILES
COC(=O)C(C1=CC=CC=C1COC1=C(C)C=CC(C)=C1)S(C)=O
InChIKey
InChIKey=KHASYJGJRLMNNB-UHFFFAOYSA-N
Formula
C19H22O4S
Mass
346.44
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
p-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Methyl esters Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Phenoxy compound - Phenol ether - P-xylene - Xylene - Alkyl aryl ether - Methyl ester - Carboxylic acid ester - Sulfoxide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Sulfinyl compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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