Compound Identification
SMILES
COC1=CC(OC)=C(C=CS(=O)CC2=CC(OS(=O)(=O)CC(O)=O)=C(OC)C=C2)C(OC)=C1
InChIKey
InChIKey=HTFAJMCVIZRHCV-UHFFFAOYSA-N
Formula
C21H24O10S2
Mass
500.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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 sulfoxides
Alternative Parents
Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Sulfonic acid esters Organosulfonic acid esters Sulfonyls Sulfoxides Sulfinyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzyl sulfoxide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfoxide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Sulfinyl compound - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=organyl).
External Descriptors
Not available