Synonyms
1621274-11-0;
IUPAC Name
methanesulfonic acid;methyl-(2-phenylphenyl)azanide;palladium(2+);tritert-butylphosphanium;
Molecular Weight
587.088g/mol
Molecular Formula
C26H43NO3PPdS+;
Canonical SMILES
CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C.C[N-]C1=CC=CC=C1C2=CC=CC=[C-]2.CS(=O)(=O)O.[Pd+2];
InChI
InChI=1S/C13H11N.C12H27P.CH4O3S.Pd/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11;1-10(2,3)13(11(4,5)6)12(7,8)9;1-5(2,3)4;/h2-7,9-10H,1H3;1-9H3;1H3,(H,2,3,4);/q-2;;;+2/p+1;
InChI Key
XBFMRPSHDGPKAC-UHFFFAOYSA-O;
Complexity
715
Covalently-Bonded Unit Count
4
Exact Mass
586.174g/mol
Formal Charge
1
H-Bond Acceptor
5
H-Bond Donor
1
Heavy Atom Count
33
Monoisotopic Mass
586.174g/mol
Rotatable Bond Count
3
Topological Polar Surface Area
63.8A^2
