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(Acetonitrile)[2-di-tert-butyl(2',4',6'-triisopropylbiphenyl)phosphine]gold(I) hexafluoroantimonate

Catalog Number ACM1140531947-1
CAS 1140531-94-7
Synonyms Acetonitrile;ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;gold(1+);hexafluoroantimony(1-)
Molecular Weight 898.42
Molecular Formula C31H48AuF6NPSb
Canonical SMILES CC#N.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C)C.F[Sb-](F)(F)(F)(F)F.[Au+]
InChI InChI=1S/C29H45P.C2H3N.Au.6FH.Sb/c1-19(2)22-17-24(20(3)4)27(25(18-22)21(5)6)23-15-13-14-16-26(23)30(28(7,8)9)29(10,11)12;1-2-3;/h13-21H,1-12H3;1H3;6*1H;/q;+1;+5/p-6
InChI Key PYTYQNZDJXLXIE-UHFFFAOYSA-H
Purity 98%
Complexity 578
Covalently-Bonded Unit Count 4
Defined Atom Stereocenter Count 0
Exact Mass 897.21324
Heavy Atom Count 41
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
Monoisotopic Mass 897.21324
Rotatable Bond Count 7
Topological Polar Surface Area 23.8 Ų

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