tris(4-butylsulfanylphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: tris(4-butylsulfanylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; tris(4-butylsulfanylphenyl)sulfonium CAS Name: trifluoromethanesulfonate; tris[4-(butylthio)phenyl]sulfonium IUPAC Name: trifluoromethanesulfonate; tris(4-butylsulfanylphenyl)sulfanium Traditional Name: tris[4-(butylthio)phenyl]sulfonium triflate Formula: C31H39F3O3S5 MolecularWeight: 676.95977

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)SCCCC)C3=CC=C(C=C3)SCCCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCSC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)SCCCC)C3=CC=C(C=C3)SCCCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H39S4.CHF3O3S/c1-4-7-22-31-25-10-16-28(17-11-25)34(29-18-12-26(13-19-29)32-23-8-5-2)30-20-14-27(15-21-30)33-24-9-6-3;2-1(3,4)8(5,6)7/h10-21H,4-9,22-24H2,1-3H3;(H,5,6,7)/q+1;/p-1