(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) tris(fluoranyl)methanesulfonate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) tris(fluoranyl)methanesulfonate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C9H11F3O4S MolecularWeight: 272.24145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C9H11F3O4S/c1-8(2)4-6(13)3-7(5-8)16-17(14,15)9(10,11)12/h3H,4-5H2,1-2H3