trimethyl-[4-(2-methylheptoxysulfonyl)phenyl]azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: trimethyl-[4-(2-methylheptoxysulfonyl)phenyl]azanium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; trimethyl-[4-(2-methylheptoxysulfonyl)phenyl]ammonium CAS Name: trifluoromethanesulfonate; trimethyl-[4-(2-methylheptoxysulfonyl)phenyl]ammonium IUPAC Name: trifluoromethanesulfonate; trimethyl-[4-(2-methylheptoxysulfonyl)phenyl]azanium Traditional Name: trimethyl-[4-(2-methylheptoxysulfonyl)phenyl]ammonium triflate Formula: C18H30F3NO6S2 MolecularWeight: 477.55911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30NO3S.CHF3O3S/c1-6-7-8-9-15(2)14-21-22(19,20)17-12-10-16(11-13-17)18(3,4)5;2-1(3,4)8(5,6)7/h10-13,15H,6-9,14H2,1-5H3;(H,5,6,7)/q+1;/p-1