Tris(acetonitrile)pentamethylcyclopentadienylruthenium (II) trifluoromethanesulfonate

Catalog Number	ACM113860029-1
CAS	113860-02-9
Structure
Synonyms	Acetonitrile,1,2,3,4,5-pentamethylcyclopentane,ruthenium,trifluoromethanesulfonate
Molecular Weight	508.5
Molecular Formula	C17H24F3N3O3RuS
Canonical SMILES	CC#N.CC#N.CC#N.CC1=C([C](C(=C1C)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
Purity	98%
Appearance	Powder
Exact Mass	509.053388
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Monoisotopic Mass	509.053388
Rotatable Bond Count	0
Topological Polar Surface Area	137 Ų