1-Propanesulfonic acid, 3-[methyl[3-[[(tridecafluorohexyl)sulfonyl]amino]propyl]amino]-, monosodium salt

80621-17-6

CAS Name

1-Propanesulfonic acid, 3-[methyl[3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]propyl]amino]-, sodium salt (1:1)

Molecular Formula

C₁₃H₁₇F₁₃N₂O₅S₂.Na

Molecular Mass

615.39

Other Names and Identifiers

InChI

InChI=1S/C13H17F13N2O5S2.Na/c1-28(6-3-7-34(29,30)31)5-2-4-27-35(32,33)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24;/h27H,2-7H2,1H3,(H,29,30,31);

InChIKey

InChIKey=LSFZYCMNZGLJRJ-UHFFFAOYSA-N

SMILES

C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(S(NCCCN(CCCS(=O)(=O)O)C)(=O)=O)(F)F)(F)F.[Na]

Canonical SMILES

[Na].O=S(=O)(O)CCCN(C)CCCNS(=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