2-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonylamino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octylsulfonylamino]methyl]benzenesulfonic acid Openeye Name: 2-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)methyl]benzenesulfonic acid CAS Name: 2-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)methyl]benzenesulfonic acid IUPAC Name: 2-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)methyl]benzenesulfonic acid Traditional Name: 2-[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonylamino)methyl]besylic acid Formula: C15H8F17NO5S2 MolecularWeight: 669.330574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNS(=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)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CNS(=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)S(=O)(=O)O

InChI

InChI=1S/C15H8F17NO5S2/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)40(37,38)33-5-6-3-1-2-4-7(6)39(34,35)36/h1-4,33H,5H2,(H,34,35,36)