[2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-tert-butoxy-2-methoxycarbonyl-phenyl)sulfonium; trifluoromethanesulfonate CAS Name: [2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxy]phenyl]sulfonium; trifluoromethanesulfonate IUPAC Name: [2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxy]phenyl]sulfanium; trifluoromethanesulfonate Traditional Name: (3-tert-butoxy-2-carbomethoxy-phenyl)sulfonium triflate Formula: C13H17F3O6S2 MolecularWeight: 390.39569

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=C(C(=CC=C1)[SH2+])C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=C(C(=CC=C1)[SH2+])C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16O3S.CHF3O3S/c1-12(2,3)15-8-6-5-7-9(16)10(8)11(13)14-4;2-1(3,4)8(5,6)7/h5-7,16H,1-4H3;(H,5,6,7)