[2-methylsulfanyl-6-(phenylmethyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-methylsulfanyl-6-(phenylmethyl)cyclohexen-1-yl] tris(fluoranyl)methanesulfonate Openeye Name: (6-benzyl-2-methylsulfanyl-cyclohexen-1-yl) trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-(methylthio)-6-(phenylmethyl)-1-cyclohexenyl] ester IUPAC Name: (6-benzyl-2-methylsulfanylcyclohexen-1-yl) trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-benzyl-2-(methylthio)cyclohexen-1-yl] ester Formula: C15H17F3O3S2 MolecularWeight: 366.41889

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(CCC1)CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CSC1=C(C(CCC1)CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C15H17F3O3S2/c1-22-13-9-5-8-12(10-11-6-3-2-4-7-11)14(13)21-23(19,20)15(16,17)18/h2-4,6-7,12H,5,8-10H2,1H3