3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexylsulfonyl]amino]propane-1-sulfonate

Systemtic Name: 3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexylsulfonyl]amino]propane-1-sulfonate Openeye Name: 3-[3-[2-hydroxyethyl(dimethyl)ammonio]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonate CAS Name: 3-[3-[2-hydroxyethyl(dimethyl)ammonio]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]-1-propanesulfonate IUPAC Name: 3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonate Traditional Name: 3-[3-[2-hydroxyethyl(dimethyl)ammonio]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]propane-1-sulfonate Formula: C16H23F13N2O6S2 MolecularWeight: 650.472862

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN(CCCS(=O)(=O)[O-])S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO

Isomeric SMILES

C[N+](C)(CCCN(CCCS(=O)(=O)[O-])S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCO

InChI

InChI=1S/C16H23F13N2O6S2/c1-31(2,8-9-32)7-3-5-30(6-4-10-38(33,34)35)39(36,37)16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27/h32H,3-10H2,1-2H3