[3,3,6-trimethyl-5-oxidanylidene-6-(phenylmethyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3,3,6-trimethyl-5-oxidanylidene-6-(phenylmethyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: (6-benzyl-3,3,6-trimethyl-5-oxo-cyclohexen-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3,3,6-trimethyl-5-oxo-6-(phenylmethyl)-1-cyclohexenyl] ester IUPAC Name: (6-benzyl-3,3,6-trimethyl-5-oxocyclohexen-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid (6-benzyl-5-keto-3,3,6-trimethyl-cyclohexen-1-yl) ester Formula: C17H19F3O4S MolecularWeight: 376.39057

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=C1)OS(=O)(=O)C(F)(F)F)(C)CC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=O)C(C(=C1)OS(=O)(=O)C(F)(F)F)(C)CC2=CC=CC=C2)C

InChI

InChI=1S/C17H19F3O4S/c1-15(2)10-13(21)16(3,9-12-7-5-4-6-8-12)14(11-15)24-25(22,23)17(18,19)20/h4-8,11H,9-10H2,1-3H3