1-Propanaminium, N-(2-hydroxyethyl)-3-[(2-hydroxy-3-sulfopropyl)[(tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, hydroxide, monosodium salt

81190-38-7

CAS Name

1-Propanaminium, N-(2-hydroxyethyl)-3-[(2-hydroxy-3-sulfopropyl)[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-N,N-dimethyl-, hydroxide, sodium salt (1:1:1)

Molecular Formula

C₁₆H₂₄F₁₃N₂O₇S₂.HO.Na

Molecular Mass

707.48

Other Names and Identifiers

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

InChIKey

InChIKey=CTEXVWYBDDJGRL-UHFFFAOYSA-N

SMILES

N(S(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)(CCC[N+](CCO)(C)C)CC(CS(=O)(=O)O)O.[Na].[OH-]

Canonical SMILES

[Na].[OH-].O=S(=O)(O)CC(O)CN(CCC[N+](C)(C)CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Other Names for this Substance