ditert-butylphosphane; diphenylphosphanylmethyl(diphenyl)phosphane; palladium; tetrafluoroborate

Systemtic Name: ditert-butylphosphane; diphenylphosphanylmethyl(diphenyl)phosphane; palladium; tetrafluoroborate Openeye Name: ditert-butylphosphane; diphenylphosphanylmethyl(diphenyl)phosphane; palladium; tetrafluoroborate CAS Name: ditert-butylphosphine; diphenylphosphinomethyl(diphenyl)phosphine; palladium; tetrafluoroborate IUPAC Name: ditert-butylphosphane; diphenylphosphanylmethyl(diphenyl)phosphane; palladium; tetrafluoroborate Traditional Name: ditert-butylphosphine; diphenylphosphinomethyl(diphenyl)phosphine; palladium; tetrafluoroborate Formula: C83H85BF4P7Pd2- MolecularWeight: 1599.02394

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)PC(C)(C)C.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd].[Pd]

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)PC(C)(C)C.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)P(CP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Pd].[Pd]

InChI

InChI=1S/3C25H22P2.C8H19P.BF4.2Pd/c3*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-7(2,3)9-8(4,5)6;2-1(3,4)5;;/h3*1-20H,21H2;9H,1-6H3;;;/q;;;;-1;;