sulfanium [2-(4-octadecoxyphenyl)-1-phenyl-propan-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: sulfanium [2-(4-octadecoxyphenyl)-1-phenyl-propan-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: sulfonium [1-methyl-1-(4-octadecoxyphenyl)-2-phenyl-ethyl] trifluoromethanesulfonate CAS Name: sulfonium trifluoromethanesulfonic acid [2-(4-octadecoxyphenyl)-1-phenylpropan-2-yl] ester IUPAC Name: sulfanium [2-(4-octadecoxyphenyl)-1-phenylpropan-2-yl] trifluoromethanesulfonate Traditional Name: sulfonium trifluoromethanesulfonic acid [1-methyl-2-phenyl-1-(4-stearyloxyphenyl)ethyl] ester Formula: C34H54F3O4S2+ MolecularWeight: 647.91537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C)(CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F.[SH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C)(CC2=CC=CC=C2)OS(=O)(=O)C(F)(F)F.[SH3+]

InChI

InChI=1S/C34H51F3O4S.H2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-40-32-26-24-31(25-27-32)33(2,29-30-22-19-18-20-23-30)41-42(38,39)34(35,36)37;/h18-20,22-27H,3-17,21,28-29H2,1-2H3;1H2/p+1