3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; palladium

Systemtic Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; palladium Openeye Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; palladium CAS Name: 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; palladium IUPAC Name: 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; palladium Traditional Name: 3-bis(3-sulfonatophenyl)phosphinobesylate; palladium Formula: C72H48O36P4PdS12-12 MolecularWeight: 2104.224964

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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-].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-].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-].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-].[Pd]

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-].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-].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-].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-].[Pd]

InChI

InChI=1S/4C18H15O9PS3.Pd/c4*19-29(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;/h4*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);/p-12