trisodium 3-[methyl-bis(3-sulfonatophenyl)phosphaniumyl]benzenesulfonate iodide

Systemtic Name: trisodium 3-[methyl-bis(3-sulfonatophenyl)phosphaniumyl]benzenesulfonate iodide Openeye Name: trisodium 3-[methyl-bis(3-sulfonatophenyl)phosphaniumyl]benzenesulfonate iodide CAS Name: trisodium 3-[methyl-bis(3-sulfonatophenyl)phosphiniumyl]benzenesulfonate iodide IUPAC Name: trisodium 3-[methyl-bis(3-sulfonatophenyl)phosphaniumyl]benzenesulfonate iodide Traditional Name: trisodium 3-[methyl-bis(3-sulfonatophenyl)phosphiniumyl]besylate iodide Formula: C19H15INa3O9PS3 MolecularWeight: 710.359541

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Descriptors Computed from Structure

Canonical SMILES:

C[P+](C1=CC(=CC=C1)S(=O)(=O)[O-])(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[I-]

Isomeric SMILES

C[P+](C1=CC(=CC=C1)S(=O)(=O)[O-])(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[I-]

InChI

InChI=1S/C19H17O9PS3.HI.3Na/c1-29(14-5-2-8-17(11-14)30(20,21)22,15-6-3-9-18(12-15)31(23,24)25)16-7-4-10-19(13-16)32(26,27)28;;;;/h2-13H,1H3,(H2-,20,21,22,23,24,25,26,27,28);1H;;;/q;;3*+1/p-3