3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; chloranylpalladium(1+); chloride

Systemtic Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; chloranylpalladium(1+); chloride Openeye Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; chloropalladium(1+); chloride CAS Name: 3-bis(3-sulfophenyl)phosphinobenzenesulfonic acid; chloropalladium(1+); chloride IUPAC Name: 3-bis(3-sulfophenyl)phosphanylbenzenesulfonic acid; chloropalladium(1+); chloride Traditional Name: 3-bis(3-sulfophenyl)phosphinobesylic acid; chloropalladium(1+); chloride Formula: C54H45Cl2O27P3PdS9 MolecularWeight: 1684.751183

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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.[Cl-].Cl[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.[Cl-].Cl[Pd+]

InChI

InChI=1S/3C18H15O9PS3.2ClH.Pd/c3*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;;;/h3*1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);2*1H;/q;;;;;+2/p-2