3-[dimethyl-[3-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octylsulfonylamino]propyl]azaniumyl]propanoate

Systemtic Name: 3-[dimethyl-[3-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octylsulfonylamino]propyl]azaniumyl]propanoate Openeye Name: 3-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]ammonio]propanoate CAS Name: 3-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]ammonio]propanoate IUPAC Name: 3-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]propanoate Traditional Name: 3-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]ammonio]propionate Formula: C16H21F13N2O4S MolecularWeight: 584.393182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(=O)[O-]

InChI

InChI=1S/C16H21F13N2O4S/c1-31(2,8-4-10(32)33)7-3-6-30-36(34,35)9-5-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h30H,3-9H2,1-2H3