5,5-dimethyl-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]hexanenitrile

Systemtic Name: 5,5-dimethyl-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]hexanenitrile Openeye Name: 5,5-dimethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile CAS Name: 5,5-dimethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile IUPAC Name: 5,5-dimethyl-3-oxo-2-[3-(trifluoromethyl)phenyl]hexanenitrile Traditional Name: 3-keto-5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]hexanenitrile Formula: C15H16F3NO MolecularWeight: 283.28885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C(C#N)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC(C)(C)CC(=O)C(C#N)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C15H16F3NO/c1-14(2,3)8-13(20)12(9-19)10-5-4-6-11(7-10)15(16,17)18/h4-7,12H,8H2,1-3H3