[2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-diphenyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-tert-butoxy-2-methoxycarbonyl-1-naphthyl)-diphenyl-sulfonium; trifluoromethanesulfonate CAS Name: [2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]-1-naphthalenyl]-diphenylsulfonium; trifluoromethanesulfonate IUPAC Name: [2-methoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]naphthalen-1-yl]-diphenylsulfanium; trifluoromethanesulfonate Traditional Name: (4-tert-butoxy-2-carbomethoxy-1-naphthyl)-diphenyl-sulfonium triflate Formula: C29H27F3O6S2 MolecularWeight: 592.64629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC1=CC(=C(C2=CC=CC=C21)[S+](C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)(C)OC1=CC(=C(C2=CC=CC=C21)[S+](C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H27O3S.CHF3O3S/c1-28(2,3)31-25-19-24(27(29)30-4)26(23-18-12-11-17-22(23)25)32(20-13-7-5-8-14-20)21-15-9-6-10-16-21;2-1(3,4)8(5,6)7/h5-19H,1-4H3;(H,5,6,7)/q+1;/p-1