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

Systemtic Name: sodium 3-[3-[2-hydroxyethyl(dimethyl)azaniumyl]propyl-[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexylsulfonyl]amino]-2-oxidanyl-propane-1-sulfonate hydroxide Openeye Name: sodium 2-hydroxy-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 hydroxide CAS Name: sodium 2-hydroxy-3-[3-[2-hydroxyethyl(dimethyl)ammonio]propyl-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)amino]-1-propanesulfonate hydroxide IUPAC Name: sodium 2-hydroxy-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 hydroxide Traditional Name: sodium 2-hydroxy-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 hydroxide Formula: C16H24F13N2NaO8S2 MolecularWeight: 706.469372

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN(CC(CS(=O)(=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.[OH-].[Na+]

Isomeric SMILES

C[N+](C)(CCCN(CC(CS(=O)(=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.[OH-].[Na+]

InChI

InChI=1S/C16H23F13N2O7S2.Na.H2O/c1-31(2,6-7-32)5-3-4-30(8-10(33)9-39(34,35)36)40(37,38)16(28,29)14(23,24)12(19,20)11(17,18)13(21,22)15(25,26)27;;/h10,32-33H,3-9H2,1-2H3;;1H2/q;+1;/p-1