R2I
Summary
| Name: | 9,11-bis(4-fluorophenyl)-2$l^{3},4,6,8$l^{3}-tetraoxa-9,11$l^{4}-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undeca-2,7,10-triene |
| Formula: | C15 H11 F2 N2 O4 Ru2 |
| Formal charge: | null |
| Formula weight: | 523.396 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [mu-(4-fluoro-N-{[(4-fluorophenyl)imino-kappaN]methyl}benzen-1-aminido-kappaN)]di(mu-formato-kappaO:kappaO')diruthenium(Ru-Ru) |
| OpenEye OEToolkits | 3.1.0.0 | 9,11-bis(4-fluorophenyl)-2$l^{3},4,6,8$l^{3}-tetraoxa-9,11$l^{4}-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undeca-2,7,10-triene |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Fc1ccc(cc1)N1C=N(c2ccc(F)cc2)[Ru]23OC=O[Ru]13O=CO2 |
| InChI | InChI | 1.06 | InChI=1S/C13H9F2N2.2CH2O2.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*2-1-3;;/h1-9H;2*1H,(H,2,3);;/q-1;;;+1;+2/p-2 |
| InChIKey | InChI | 1.06 | ADNKGLOERWUMSG-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)N=CN([Ru])c2ccc(F)cc2.O=CO[Ru]OC=O |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)N=CN([Ru])c2ccc(F)cc2.O=CO[Ru]OC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1[N]2=CN([Ru]34[Ru]2(OC=O3)OC=O4)c5ccc(cc5)F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1[N]2=CN([Ru]34[Ru]2(OC=O3)OC=O4)c5ccc(cc5)F)F |
