| CAS Number | 871466-65-8 |
| Catalog Number | AG00IMD2(AGN-PC-0VB5DF) |
| Chemical Name | Ruthenate(2-),[[2,2'-bipyridine]-4,4'-dicarboxylato(2-)-kN1,kN1'](4,4'-dinonyl-2,2'-bipyridine-kN1,kN1')bis(thiocyanato-kN)-, hydrogen sodium, (OC-6-32)- |
| IUPAC Name | sodium;2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate;hydron;4-nonyl-2-(4-nonylpyridin-2-yl)pyridine;ruthenium(2+);diisothiocyanate |
| InChI | InChI=1S/C28H44N2.C12H8N2O4.2CNS.Na.Ru/c1-3-5-7-9-11-13-15-17-25-19-21-29-27(23-25)28-24-26(20-22-30-28)18-16-14-12-10-8-6-4-2;15-11(16)7-1-3-13-9(5-7)10-6-8(12(17)18)2-4-14-10;2*2-1-3;;/h19-24H,3-18H2,1-2H3;1-6H,(H,15,16)(H,17,18);;;;/q;;2*-1;+1;+2/p-1 |
| InChI Key | AECRLIZIPPIXIE-UHFFFAOYSA-M |
| MDL Number | MFCD28976157 |
| Molecular Formula | C42H51N6NaO4RuS2 |
| Molecular Weight | 892.0819 |
| SMILES | [O-]C(=O)c1ccnc(c1)c1nccc(c1)C(=O)O.CCCCCCCCCc1ccnc(c1)c1nccc(c1)CCCCCCCCC.[N-]=C=S.[N-]=C=S.[Na+].[Ru+2] |
| Synonyms | 871466-65-8,
Ruthenate(2-), [[2,2'-bipyridine]-4,4'-dicarboxylato(2-)-|EN1,|EN1'](4,4'-dinonyl-2,2'-bipyridine-|EN1,|EN1')bis(thiocyanato-|EN)-, sodium hydrogen (1:1:1), (OC-6-32)-,
|
| Complexity | 963 |
| Compound Is Canonicalized | No |
| Covalently-Bonded Unit Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 892.235431g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 56 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 892.1g/mol |
| Monoisotopic Mass | 892.235431g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 198Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number