octadecyl-[4-(phenylmethylsulfanyl)phenyl]oxidanium; tris(fluoranyl)methanesulfonate

Systemtic Name: octadecyl-[4-(phenylmethylsulfanyl)phenyl]oxidanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-benzylsulfanylphenyl)-octadecyl-oxonium; trifluoromethanesulfonate CAS Name: octadecyl-[4-(phenylmethylthio)phenyl]oxonium; trifluoromethanesulfonate IUPAC Name: (4-benzylsulfanylphenyl)-octadecyloxidanium; trifluoromethanesulfonate Traditional Name: [4-(benzylthio)phenyl]-stearyl-oxonium triflate Formula: C32H49F3O4S2 MolecularWeight: 618.85427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[OH+]C1=CC=C(C=C1)SCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[OH+]C1=CC=C(C=C1)SCC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C31H48OS.CHF3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-30-23-25-31(26-24-30)33-28-29-21-18-17-19-22-29;2-1(3,4)8(5,6)7/h17-19,21-26H,2-16,20,27-28H2,1H3;(H,5,6,7)