(4-cyano-4-phenyl-cyclohexen-1-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (4-cyano-4-phenyl-cyclohexen-1-yl) tris(fluoranyl)methanesulfonate Openeye Name: (4-cyano-4-phenyl-cyclohexen-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (4-cyano-4-phenyl-1-cyclohexenyl) ester IUPAC Name: (4-cyano-4-phenylcyclohexen-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (4-cyano-4-phenyl-cyclohexen-1-yl) ester Formula: C14H12F3NO3S MolecularWeight: 331.31019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1OS(=O)(=O)C(F)(F)F)(C#N)C2=CC=CC=C2

Isomeric SMILES

C1CC(CC=C1OS(=O)(=O)C(F)(F)F)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H12F3NO3S/c15-14(16,17)22(19,20)21-12-6-8-13(10-18,9-7-12)11-4-2-1-3-5-11/h1-6H,7-9H2