Compound Identification
SMILES
CCO[C@H]1OC(=O)[C@]2([C@@H]1[C@@H]2C(=O)OCC)S(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=ATHXEFBDKUCENN-ZTNQVAEPSA-N
Formula
C17H20O6S
Mass
352.4
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 Delta valerolactones Oxanes Gamma butyrolactones Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Oxolanes Sulfoxides Carboxylic acid esters Sulfinyl compounds Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl sulfoxide - Delta valerolactone - Delta_valerolactone - Toluene - Cyclopropanecarboxylic acid or derivatives - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxane - Oxolane - Carboxylic acid ester - Sulfoxide - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Aromatic heteropolycyclic 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