2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosakis(fluoranyl)dodecan-2-yl]-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosakis(fluoranyl)dodecan-2-yl]-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoro-1-methyl-undecyl)-3-methyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate CAS Name: 2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecan-2-yl)-3-methyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate IUPAC Name: 2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-2-yl)-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; trifluoromethanesulfonate Traditional Name: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heneicosafluoro-1-methyl-undecyl)-3-methyl-2-oxazolin-3-ium triflate Formula: C17H11F24NO4S MolecularWeight: 781.300217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=[N+](CCO1)C)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C1=[N+](CCO1)C)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H11F21NO.CHF3O3S/c1-5(6-38(2)3-4-39-6)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37;2-1(3,4)8(5,6)7/h5H,3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1