Synonyms
141460-19-7;cis-Dithiocyanatobis(N,N'-2,2'-bipyridyl-4,4'-dicarboxylic acid)ruthenium;cis-bis(isothiocyanato)bis(2,2-bipyridyl-4,4-dicarboxylato)-ruthenium(ii);N-3 dye;SCHEMBL789419;460D197;cis-bis(isothiocyanate)bis(2,2'-bipyridyl-4,4'-dicarboxylate)-ruthenium(II);cis-Bis(isothiocyanato)bis(2,2'-bipyridyl-4,4'-dicarboxylato)ruthenium(II), 95% (NMR);cis-Bis(isothiocyanato)bis(2,2 inverted exclamation marka-bipyridyl-4,4 inverted exclamation marka-dicarboxylato)ruthenium(II);
IUPAC Name
2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid;ruthenium(2+);diisothiocyanate;
Molecular Weight
705.638g/mol
Molecular Formula
C26H16N6O8RuS2;
Canonical SMILES
C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O.C(=[N-])=S.C(=[N-])=S.[Ru+2];
InChI
InChI=1S/2C12H8N2O4.2CNS.Ru/c2*15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;/h2*1-6H,(H,15,16)(H,17,18);;;/q;;2*-1;+2;
InChI Key
VMISXESAJBVFNH-UHFFFAOYSA-N;
Complexity
374
Covalently-Bonded Unit Count
5
Exact Mass
705.951g/mol
H-Bond Acceptor
16
H-Bond Donor
4
Heavy Atom Count
43
Monoisotopic Mass
705.951g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
267A^2
