sodium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecakis(fluoranyl)-8-(2-sulfonatosulfanylethylcarbamoyloxy)octane

Systemtic Name: sodium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecakis(fluoranyl)-8-(2-sulfonatosulfanylethylcarbamoyloxy)octane Openeye Name: sodium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(2-sulfonatosulfanylethylcarbamoyloxy)octane CAS Name: sodium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[oxo-[2-(sulfonatothio)ethylamino]methoxy]octane IUPAC Name: sodium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-(2-sulfonatosulfanylethylcarbamoyloxy)octane Traditional Name: sodium 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-[2-(sulfonatothio)ethylcarbamoyloxy]octane Formula: C11H9F13NNaO5S2 MolecularWeight: 569.291872

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Descriptors Computed from Structure

Canonical SMILES:

C(COC(=O)NCCSS(=O)(=O)[O-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Na+]

Isomeric SMILES

C(COC(=O)NCCSS(=O)(=O)[O-])C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.[Na+]

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);/q;+1/p-1