Compound Identification
SMILES
[Fe].[CH-]1[CH-][CH-][CH-][CH-]1.CC1=CC=C(C=C1)S(=O)C1=CC=C[C-]1C1=CC=CC=C1O
InChIKey
InChIKey=JEZKYRQIDQQOOE-UHFFFAOYSA-N
Formula
C23H20FeO2S
Mass
416.32
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 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aromatic hydrocarbons Sulfoxides Sulfinyl compounds Organic transition metal salts Unsaturated hydrocarbons Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Phenyl sulfoxide - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Toluene - Aromatic hydrocarbon - Sulfoxide - Organic transition metal salt - Sulfinyl compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Unsaturated hydrocarbon - Organic anion - Hydrocarbon - 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