trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 4-methylbenzenesulfonic acid; palladium; pyridine-2-carboxylic acid

Systemtic Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 4-methylbenzenesulfonic acid; palladium; pyridine-2-carboxylic acid Openeye Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 4-methylbenzenesulfonic acid; palladium; pyridine-2-carboxylic acid CAS Name: trisodium; 3-bis(3-sulfonatophenyl)phosphinobenzenesulfonate; 4-methylbenzenesulfonic acid; palladium; 2-pyridinecarboxylic acid IUPAC Name: trisodium; 3-bis(3-sulfonatophenyl)phosphanylbenzenesulfonate; 4-methylbenzenesulfonic acid; palladium; pyridine-2-carboxylic acid Traditional Name: trisodium; 3-bis(3-sulfonatophenyl)phosphinobesylate; palladium; picolinic acid; tosylic acid Formula: C31H25NNa3O14PPdS4 MolecularWeight: 970.151571

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)C(=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-].[Na+].[Na+].[Na+].[Pd]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)C(=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-].[Na+].[Na+].[Na+].[Pd]

InChI

InChI=1S/C18H15O9PS3.C7H8O3S.C6H5NO2.3Na.Pd/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;1-6-2-4-7(5-3-6)11(8,9)10;8-6(9)5-3-1-2-4-7-5;;;;/h1-12H,(H,19,20,21)(H,22,23,24)(H,25,26,27);2-5H,1H3,(H,8,9,10);1-4H,(H,8,9);;;;/q;;;3*+1;/p-3