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(SP-4-2)-[1,1'-(1R)-[1,1'-Binaphthalene]-2,2'-diylbis[1,1-diphenylphosphine-κP]]bis(1,1,1-trifluoromethanesulfonato-κO)nick

Catalog Number ACM950508095-1
CAS 950508-09-5
Synonyms [1-(2-Diphenylphosphaniumylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphanium;nickel(2+);trifluoromethanesulfonate
Molecular Weight 981.5
Molecular Formula C46H34F6NiO6P2S2
Canonical SMILES C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)[PH+](C7=CC=CC=C7)C8=CC=CC=C8.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ni+2]
InChI InChI=1S/C44H32P2.2CHF3O3S.Ni/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*2-1(3,4)8(5,6)7;/h1-32H;2*(H,5,6,7);/q;+2
InChI Key OTEZGZXMIAVCGE-UHFFFAOYSA-N
Purity 98%
Complexity 1420
Covalently-Bonded Unit Count 4
Defined Atom Stereocenter Count 0
Exact Mass 980.052966
Heavy Atom Count 63
Hydrogen Bond Acceptor Count 12
Hydrogen Bond Donor Count 0
Monoisotopic Mass 980.052966
Rotatable Bond Count 6
Topological Polar Surface Area 131 Ų

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