[2'-(methylamino)-[1,1'-biphenyl]-2-yl]palladiumylium xphos mesylate

CAS: 1599466-81-5

Formula: C47H64NO3PPdS

SMILES: CS([O-])(=O)=O.CNC1=CC=CC=C1C1=CC=CC=C1[Pd+].CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)C1=CC=CC=C1P(C1CCCCC1)C1CCCCC1

IUPAC: [2'-(methylamino)-[1,1'-biphenyl]-2-yl]palladiumylium dicyclohexyl[2',4',6'-tris(propan-2-yl)-[1,1'-biphenyl]-2-yl]phosphane methanesulfonate

InChI: InChI=1S/C33H49P.C13H12N.CH4O3S.Pd/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-5(2,3)4;/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;2-7,9-10,14H,1H3;1H3,(H,2

Composition: C (65.60%), H (7.50%), N (1.63%), O (5.58%), P (3.60%), Pd (12.37%), S (3.73%)

Molar Mass: 860.49

Atom Count: 118

Heavy Atom Count: 54