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

Systemtic Name: [2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxy]phenyl]-dimethyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-tert-butoxy-2-methoxycarbonyl-phenyl)-dimethyl-sulfonium; trifluoromethanesulfonate CAS Name: [2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxy]phenyl]-dimethylsulfonium; trifluoromethanesulfonate IUPAC Name: [2-methoxycarbonyl-3-[(2-methylpropan-2-yl)oxy]phenyl]-dimethylsulfanium; trifluoromethanesulfonate Traditional Name: (3-tert-butoxy-2-carbomethoxy-phenyl)-dimethyl-sulfonium triflate Formula: C15H21F3O6S2 MolecularWeight: 418.44885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21O3S.CHF3O3S/c1-14(2,3)17-10-8-7-9-11(18(5)6)12(10)13(15)16-4;2-1(3,4)8(5,6)7/h7-9H,1-6H3;(H,5,6,7)/q+1;/p-1