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Chloro[(R)-(-)-2,2'-bis(di-p-tolylphosphino)-1,1'-binaphthyl](p-cymene)ruthenium(II) chloride

Catalog Number ACM1034001518-1
CAS 1034001-51-8
Synonyms [Rucl(P-cymene)((R)-tolbinap)]Cl
Molecular Weight 985
Molecular Formula C58H54Cl2P2Ru
Canonical SMILES CC1=CC=C(C=C1)C(C)C.CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=C(C=C7)C)C8=CC=C(C=C8)C.[Cl-].[Cl-].[Ru+3]
InChI InChI=1S/C48H40P2.C10H14.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-8(2)10-6-4-9(3)5-7-10;/h5-32H,1-4H3;4-8H,1-3H3;2*1H;/q;+3/p-2
InChI Key ZKAJUZRGXDGAJV-UHFFFAOYSA-L
Purity 98%
Complexity 983
Covalently-Bonded Unit Count 5
Defined Atom Stereocenter Count 0
Exact Mass 984.212121
Heavy Atom Count 63
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
Monoisotopic Mass 984.212121
Rotatable Bond Count 8
Topological Polar Surface Area 0 Ų

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