Compound Identification
SMILES
[Cr].[CH-]1C=CC=C1.OS(=O)(=O)C(F)(F)F.CC(CC(C)[N-]C1=C(C=CC=C1C(C)C)C(C)C)[N-]C1=C(C=CC=C1C(C)C)C(C)C
InChIKey
InChIKey=RJJUPEIGBCUZOJ-UHFFFAOYSA-N
Formula
C35H50CrF3N2O3S
Mass
687.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Trifluoromethanesulfonates Sulfonyls Organosulfonic acids Methanesulfonates Aromatic hydrocarbons Trihalomethanes Organic transition metal salts Unsaturated hydrocarbons Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic anions
Molecular Framework
Not available
Substituents
Cumene - Phenylpropane - Trifluoromethanesulfonate - Methanesulfonate - Aromatic hydrocarbon - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Trihalomethane - Organic transition metal salt - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Hydrocarbon derivative - Halomethane - Organic oxide - Unsaturated hydrocarbon - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Hydrocarbon - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available