nonasodium; 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; rhodium(3+); triperchlorate

Systemtic Name: nonasodium; 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; rhodium(3+); triperchlorate Openeye Name: nonasodium; 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; rhodium(3+); triperchlorate CAS Name: nonasodium; 4-bis(4-sulfonatophenyl)phosphinobenzenesulfonate; rhodium(3+); triperchlorate IUPAC Name: nonasodium; 4-bis(4-sulfonatophenyl)phosphanylbenzenesulfonate; rhodium(3+); triperchlorate Traditional Name: nonasodium; 4-bis(4-sulfonatophenyl)phosphinobesylate; rhodium(3+); triperchlorate Formula: C54H36Cl3Na9O39P3RhS9 MolecularWeight: 2106.518953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Rh+3]

Isomeric SMILES

C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].C1=CC(=CC=C1P(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Rh+3]

InChI

InChI=1S/3C18H15O9PS3.3ClHO4.9Na.Rh/c3*19-29(20,21)16-7-1-13(2-8-16)28(14-3-9-17(10-4-14)30(22,23)24)15-5-11-18(12-6-15)31(25,26)27;3*2-1(3,4)5;;;;;;;;;;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);3*(H,2,3,4,5);;;;;;;;;;/q;;;;;;9*+1;+3/p-12