[2-methoxycarbonyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [2-methoxycarbonyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-tert-butoxy-2-methoxycarbonyl-3-methyl-phenyl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [2-methoxycarbonyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [2-methoxycarbonyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: (4-tert-butoxy-2-carbomethoxy-3-methyl-phenyl)-diphenyl-sulfonium triflate Formula: C26H27F3O6S2 MolecularWeight: 556.61419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OC(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC)[S+](C2=CC=CC=C2)C3=CC=CC=C3)OC(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H27O3S.CHF3O3S/c1-18-21(28-25(2,3)4)16-17-22(23(18)24(26)27-5)29(19-12-8-6-9-13-19)20-14-10-7-11-15-20;2-1(3,4)8(5,6)7/h6-17H,1-5H3;(H,5,6,7)/q+1;/p-1