(2-ethoxycarbonylphenyl)-octadecyl-propyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2-ethoxycarbonylphenyl)-octadecyl-propyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-ethoxycarbonylphenyl)-octadecyl-propyl-sulfonium; trifluoromethanesulfonate CAS Name: (2-ethoxycarbonylphenyl)-octadecyl-propylsulfonium; trifluoromethanesulfonate IUPAC Name: (2-ethoxycarbonylphenyl)-octadecyl-propylsulfanium; trifluoromethanesulfonate Traditional Name: (2-carbethoxyphenyl)-propyl-stearyl-sulfonium triflate Formula: C31H53F3O5S2 MolecularWeight: 626.87473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1C(=O)OCC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1C(=O)OCC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H53O2S.CHF3O3S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-33(26-5-2)29-25-22-21-24-28(29)30(31)32-6-3;2-1(3,4)8(5,6)7/h21-22,24-25H,4-20,23,26-27H2,1-3H3;(H,5,6,7)/q+1;/p-1