methylsulfanium; [4-octadecoxy-2-(phenylmethyl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: methylsulfanium; [4-octadecoxy-2-(phenylmethyl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: (2-benzyl-4-octadecoxy-phenyl) trifluoromethanesulfonate; methylsulfonium CAS Name: methylsulfonium; trifluoromethanesulfonic acid [4-octadecoxy-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-octadecoxyphenyl) trifluoromethanesulfonate; methylsulfanium Traditional Name: methylsulfonium; trifluoromethanesulfonic acid (2-benzyl-4-stearyloxy-phenyl) ester Formula: C33H52F3O4S2+ MolecularWeight: 633.88879

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2.C[SH2+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)CC2=CC=CC=C2.C[SH2+]

InChI

InChI=1S/C32H47F3O4S.CH4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-38-30-23-24-31(39-40(36,37)32(33,34)35)29(27-30)26-28-21-18-17-19-22-28;1-2/h17-19,21-24,27H,2-16,20,25-26H2,1H3;2H,1H3/p+1