disodium; 4-diphenylphosphanylbenzenesulfonate; palladium(2+); propane; tetrafluoroborate

Systemtic Name: disodium; 4-diphenylphosphanylbenzenesulfonate; palladium(2+); propane; tetrafluoroborate Openeye Name: disodium; 4-diphenylphosphanylbenzenesulfonate; palladium(2+); propane; tetrafluoroborate CAS Name: disodium; 4-diphenylphosphinobenzenesulfonate; palladium(2+); propane; tetrafluoroborate IUPAC Name: disodium; 4-diphenylphosphanylbenzenesulfonate; palladium(2+); propane; tetrafluoroborate Traditional Name: disodium; 4-diphenylphosphinobesylate; palladium(2+); propane; tetrafluoroborate Formula: C39H33BF4Na2O6P2PdS2+ MolecularWeight: 962.957395

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[CH2][CH][CH2].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+].[Pd+2]

Isomeric SMILES

[B-](F)(F)(F)F.[CH2][CH][CH2].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+].[Pd+2]

InChI

InChI=1S/2C18H15O3PS.C3H5.BF4.2Na.Pd/c2*19-23(20,21)18-13-11-17(12-14-18)22(15-7-3-1-4-8-15)16-9-5-2-6-10-16;1-3-2;2-1(3,4)5;;;/h2*1-14H,(H,19,20,21);3H,1-2H2;;;;/q;;;-1;2*+1;+2/p-2