Synonyms
113860-02-9;TRIS(ACETONITRILE)PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM(II) TRIFLUOROMETHANESULFONATE;MFCD07369036;SC10295;
IUPAC Name
acetonitrile;1,2,3,4,5-pentamethylcyclopentane;ruthenium;trifluoromethanesulfonate;
Molecular Weight
508.522g/mol
Molecular Formula
C17H24F3N3O3RuS-;
Canonical SMILES
CC#N.CC#N.CC#N.C[C]1[C]([C]([C]([C]1C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-].[Ru];
InChI
InChI=1S/C10H15.3C2H3N.CHF3O3S.Ru/c1-6-7(2)9(4)10(5)8(6)3;3*1-2-3;2-1(3,4)8(5,6)7;/h1-5H3;3*1H3;(H,5,6,7);/p-1;
InChI Key
JJKTXFALMRBAHB-UHFFFAOYSA-M;
Complexity
246
Covalently-Bonded Unit Count
6
Exact Mass
509.053g/mol
Formal Charge
-1
H-Bond Acceptor
9
Heavy Atom Count
28
Monoisotopic Mass
509.053g/mol
Topological Polar Surface Area
137A^2
