triiodanium 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate

Systemtic Name: triiodanium 2,3,4,5,6-pentakis(fluoranyl)benzenesulfonate Openeye Name: triiodonium 2,3,4,5,6-pentafluorobenzenesulfonate CAS Name: triiodonium 2,3,4,5,6-pentafluorobenzenesulfonate IUPAC Name: triiodanium 2,3,4,5,6-pentafluorobenzenesulfonate Traditional Name: triiodonium 2,3,4,5,6-pentafluorobesylate Formula: C18H6F15I3O9S3 MolecularWeight: 1128.119298

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Descriptors Computed from Structure

Canonical SMILES:

C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.[IH2+].[IH2+].[IH2+]

Isomeric SMILES

C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.C1(=C(C(=C(C(=C1F)F)S(=O)(=O)[O-])F)F)F.[IH2+].[IH2+].[IH2+]

InChI

InChI=1S/3C6HF5O3S.3H2I/c3*7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;;;/h3*(H,12,13,14);3*1H2/q;;;3*+1/p-3