Free Chemical Databases
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[Synonyms]
14767-24-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 840.58716 [g/mol] Molecular Formula C36H24Cl2N6O8Ru H-Bond Donor 0 H-Bond Acceptor 14 Rotatable Bond Count 0 Exact Mass 840.007617 MonoIsotopic Mass 840.007617 Topological Polar Surface Area 226 Heavy Atom Count 53 Formal Charge 0 Complexity 278 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 6
[ Descriptors Computed from Structure]
IUPAC Name: 1,10-phenanthroline; ruthenium(+2) cation; diperchlorate
Canonical SMILES: C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C
(C3=C(C=CC=N3)C=C2)N=C1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ru+2]
InChI: InChI=1/3C12H8N2.2ClHO4.Ru/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*
2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,
5);/q;;;;;+2/p-2/f3C12H8N2.2ClO4.Ru/q;;;2*-1;m
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