3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl-(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethyl-azanium hydroxide

Systemtic Name: 3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonyl-(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethyl-azanium hydroxide Openeye Name: 3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethyl-ammonium hydroxide CAS Name: 3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylammonium hydroxide IUPAC Name: 3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethylazanium hydroxide Traditional Name: 3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-(2-hydroxyethyl)-dimethyl-ammonium hydroxide Formula: C18H25F17N2O7S2 MolecularWeight: 768.503154

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=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)CCO.[OH-]

Isomeric SMILES

C[N+](C)(CCCN(CCCS(=O)(=O)O)S(=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)CCO.[OH-]

InChI

InChI=1S/C18H23F17N2O6S2.H2O/c1-37(2,8-9-38)7-3-5-36(6-4-10-44(39,40)41)45(42,43)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33;/h38H,3-10H2,1-2H3;1H2