RUA
Summary
| Name: | (4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE) |
| Formula: | C32 H56 N6 Ru |
| Formal charge: | 0 |
| Formula weight: | 625.897 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2R,2'S)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][(2S)-4-methyl-2-[(2S,4S)-4-methylpiperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N92C(C1N(CCC(C1)C)[Ru]258(N3CCCCC3C4N5CCCC4)N6CCCCC6C7N8CCCC7)CC(=CC9)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1CCN2[C@@H](C1)[C@@H]3CC(=CCN3[Ru]245(N6CCCC[C@@H]6[C@@H]7CCCCN47)N8CCCC[C@@H]8[C@H]9CCCCN59)C |
| SMILES | CACTVS | 3.341 | C[CH]1CCN2[CH](C1)[CH]3CC(=CCN3[Ru]245(N6CCCC[CH]6[CH]7CCCCN47)N8CCCC[CH]8[CH]9CCCCN59)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1CCN2C(C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)N8CCCCC8C9N5CCCC9)C |
| InChI | InChI | 1.03 | InChI=1S/C12H20N2.2C10H18N2.Ru/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3,10-12H,4-8H2,1-2H3;2*9-10H,1-8H2;/q3*-2;+6/t10-,11?,12?;2*9-,10?;/m011./s1 |
| InChIKey | InChI | 1.03 | YAYKSGBDMCLSRX-YMKCNCASSA-N |
