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Ruthenium(2+), tris(acetonitrile)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, (OC-6-22)-,salt with trifluoromethanesulfonic acid (1:2)

HCID 492274
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Basic information

CAS
103500-16-9
Standard SMILES
CC#N.CC#N.CC#N.CC(CP(c1ccccc1)c1ccccc1)(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Ru+2]
InChIKey
HYZMSSPZXLGACV-UHFFFAOYSA-L
Molecular formula
C49H48F6N3O6P3RuS2
Average molar mass
1,147 g/mol
Monoisotopic mass
1,147.114499

Names & identifiers

Preferred name
Ruthenium(2+), tris(acetonitrile)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, (OC-6-22)-,salt with trifluoromethanesulfonic acid (1:2)
IUPAC
tris(acetonitrile);[3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methylpropyl]-diphenylphosphane;ruthenium(2+);bis(trifluoromethanesulfonate)

Names & synonyms

(Ru(MeCN)3(PPP))(OTf)2103500-16-9Ruthenium(2+), tris(acetonitrile)((2-((diphenylphosphino-kappaP)methyl)-2-methyl-1,3-propanediyl)bis(diphenylphosphine-kappaP))-, (OC-6-22)-,salt with trifluoromethanesulfonic acid (1:2)[Ru(MeCN)3(PPP)](OTf)2DTXSID40145883acetonitrile; [3-diphenylphosphanyl-2-(diphenylphosphanylmethyl)-2-methyl-propyl]-diphenyl-phosphane; ruthenium(2+); trifluoromethanesulfonic acidRuthenium(2+), tris(acetonitrile)[[2-[(diphenylphosphino-.kappa.P)methyl]-2-methyl-1,3-propanediyl]bis[diphenylphosphine-.kappa.P]]-, (OC-6-22)-,salt with trifluoromethanesulfonic acid (1:2)

Database identifiers

CAS
103500-16-9
PubChem CID
492274
DTXSID
DTXSID40145883

Properties

Computed structural properties

Topological polar surface area
203 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
15
Rotatable bonds
12
Heavy atoms
70
Formal charge
0
Complexity
793

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Compound notes

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