Carbamic acid, [2-(sulfothio)ethyl]-, C-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester, monosodium salt

82199-07-3

CAS Name

Carbamic acid, N-[2-(sulfothio)ethyl]-, C-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester, sodium salt (1:1)

Molecular Formula

C₁₁H₁₀F₁₃NO₅S₂.Na

Molecular Mass

570.30

Other Names and Identifiers

InChI

InChI=1S/C11H10F13NO5S2.Na/c12-6(13,1-3-30-5(26)25-2-4-31-32(27,28)29)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24;/h1-4H2,(H,25,26)(H,27,28,29);

InChIKey

InChIKey=OALYJTMPVGVHHM-UHFFFAOYSA-N

SMILES

C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(CCOC(NCCSS(=O)(=O)O)=O)(F)F)(F)F)(F)F.[Na]

Canonical SMILES

[Na].O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)NCCSS(=O)(=O)O

Other Names for this Substance