sodium 3-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonylamino]butylamino]propane-1-sulfonate

Systemtic Name: sodium 3-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonylamino]butylamino]propane-1-sulfonate Openeye Name: sodium 3-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)butylamino]propane-1-sulfonate CAS Name: sodium 3-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)butylamino]-1-propanesulfonate IUPAC Name: sodium 3-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)butylamino]propane-1-sulfonate Traditional Name: sodium 3-[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)butylamino]propane-1-sulfonate Formula: C15H16F17N2NaO5S2 MolecularWeight: 714.390564

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Descriptors Computed from Structure

Canonical SMILES:

C(CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C(CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CNCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H17F17N2O5S2.Na/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)41(38,39)34-6-2-1-4-33-5-3-7-40(35,36)37;/h33-34H,1-7H2,(H,35,36,37);/q;+1/p-1