[(3R,5S,6R)-3,5-dimethyl-6-(2-oxidanylidenebut-3-enyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [(3R,5S,6R)-3,5-dimethyl-6-(2-oxidanylidenebut-3-enyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: [(3R,5S,6R)-3,5-dimethyl-6-(2-oxobut-3-enyl)cyclohexen-1-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [(3R,5S,6R)-3,5-dimethyl-6-(2-oxobut-3-enyl)-1-cyclohexenyl] ester IUPAC Name: [(3R,5S,6R)-3,5-dimethyl-6-(2-oxobut-3-enyl)cyclohexen-1-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [(3R,5S,6R)-6-(2-ketobut-3-enyl)-3,5-dimethyl-cyclohexen-1-yl] ester Formula: C13H17F3O4S MolecularWeight: 326.33189

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(=C1)OS(=O)(=O)C(F)(F)F)CC(=O)C=C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H](C(=C1)OS(=O)(=O)C(F)(F)F)CC(=O)C=C)C

InChI

InChI=1S/C13H17F3O4S/c1-4-10(17)7-11-9(3)5-8(2)6-12(11)20-21(18,19)13(14,15)16/h4,6,8-9,11H,1,5,7H2,2-3H3/t8-,9+,11-/m1/s1