bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-pyridin-3-yl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-pyridin-3-yl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(4-tert-butoxyphenyl)-(3-pyridyl)sulfonium; trifluoromethanesulfonate CAS Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-(3-pyridinyl)sulfonium; trifluoromethanesulfonate IUPAC Name: bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-pyridin-3-ylsulfanium; trifluoromethanesulfonate Traditional Name: bis(4-tert-butoxyphenyl)-(3-pyridyl)sulfonium triflate Formula: C26H30F3NO5S2 MolecularWeight: 557.64531

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CN=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)OC(C)(C)C)C3=CN=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H30NO2S.CHF3O3S/c1-24(2,3)27-19-9-13-21(14-10-19)29(23-8-7-17-26-18-23)22-15-11-20(12-16-22)28-25(4,5)6;2-1(3,4)8(5,6)7/h7-18H,1-6H3;(H,5,6,7)/q+1;/p-1