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

Systemtic Name: 2-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)decan-2-yl]-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-methyl-nonyl)-3-methyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate CAS Name: 2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl)-3-methyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate IUPAC Name: 2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-2-yl)-3-methyl-4,5-dihydro-1,3-oxazol-3-ium; trifluoromethanesulfonate Traditional Name: 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-1-methyl-nonyl)-3-methyl-2-oxazolin-3-ium triflate Formula: C15H11F20NO4S MolecularWeight: 681.285204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F17NO.CHF3O3S/c1-5(6-32(2)3-4-33-6)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31;2-1(3,4)8(5,6)7/h5H,3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1