dibutyl(naphthalen-1-yl)sulfanium; triphenylsulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dibutyl(naphthalen-1-yl)sulfanium; triphenylsulfanium; tris(fluoranyl)methanesulfonate Openeye Name: dibutyl(1-naphthyl)sulfonium; trifluoromethanesulfonate; triphenylsulfonium CAS Name: dibutyl(1-naphthalenyl)sulfonium; trifluoromethanesulfonate; triphenylsulfonium IUPAC Name: dibutyl(naphthalen-1-yl)sulfanium; trifluoromethanesulfonate; triphenylsulfanium Traditional Name: dibutyl(1-naphthyl)sulfonium; triphenylsulfonium; ditriflate Formula: C38H40F6O6S4 MolecularWeight: 834.971019

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+](CCCC)C1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[S+](CCCC)C1=CC=CC2=CC=CC=C21.C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H15S.C18H25S.2CHF3O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-14-19(15-6-4-2)18-13-9-11-16-10-7-8-12-17(16)18;2*2-1(3,4)8(5,6)7/h1-15H;7-13H,3-6,14-15H2,1-2H3;2*(H,5,6,7)/q2*+1;;/p-2