trisodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate tetrahydrate

Systemtic Name: trisodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate tetrahydrate Openeye Name: trisodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate tetrahydrate CAS Name: trisodium 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate tetrahydrate IUPAC Name: trisodium 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate tetrahydrate Traditional Name: trisodium 3-bis(3-sulfonatophenyl)phosphinobesylate tetrahydrate Formula: C18H20Na3O13PS3 MolecularWeight: 640.481671

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15O9PS3.3Na.4H2O/c19-29(20,21)16-7-1-4-13(10-16)28(14-5-2-8-17(11-14)30(22,23)24)15-6-3-9-18(12-15)31(25,26)27;;;;;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);;;;4*1H2/q;3*+1;;;;/p-3