YJT
Summary
| Name: | 6,8-bis(4-fluorophenyl)-1,5-bis($l^{3}-oxidanyl)-2,4-dioxa-6$l^{4},8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]oct-6-en-3-one |
| Formula: | C14 H13 F2 N2 O5 Ru2 |
| Formal charge: | null |
| Formula weight: | 529.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | diaqua(mu-carbonato-kappaO:kappaO')-[mu-(4-fluoro-N-{[(4-fluorophenyl)imino-kappaN]methyl}benzen-1-aminido-kappaN)]diruthenium(Ru-Ru) |
| OpenEye OEToolkits | 3.1.0.0 | 6,8-bis(4-fluorophenyl)-1,5-bis($l^{3}-oxidanyl)-2,4-dioxa-6$l^{4},8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]oct-6-en-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [OH2][Ru]12OC(=O)O[Ru]2([OH2])N(=CN1c1ccc(F)cc1)c1ccc(F)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H9F2N2.CH2O3.2H2O.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2-1(3)4;;;;/h1-9H;(H2,2,3,4);2*1H2;;/q-1;;;;+1;+2/p-2 |
| InChIKey | InChI | 1.06 | VAQMYLUBZKKWBN-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.Fc1ccc(cc1)N=CN([Ru]OC(=O)O[Ru])c2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | O.O.Fc1ccc(cc1)N=CN([Ru]OC(=O)O[Ru])c2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1[N]2=CN([Ru]3([Ru]2(OC(=O)O3)[OH2])[OH2])c4ccc(cc4)F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1[N]2=CN([Ru]3([Ru]2(OC(=O)O3)[OH2])[OH2])c4ccc(cc4)F)F |
