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=C1Br
InChIKey
InChIKey=FUTTYZXTJWLQJQ-UHFFFAOYSA-N
Formula
C23H19BrFeOS
Mass
479.22
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 Bromobenzenes Aryl bromides Aromatic hydrocarbons Sulfoxides Sulfinyl compounds Organic transition metal salts Unsaturated hydrocarbons Organobromides Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Not available
Substituents
Phenyl sulfoxide - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Aromatic hydrocarbon - Sulfoxide - Organic transition metal salt - Sulfinyl compound - Organic oxygen compound - Unsaturated hydrocarbon - Organic oxide - Organosulfur compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Hydrocarbon - Organic anion - 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