ZXE
Summary
| Name: | Ru2(DPhF)(CO3)2(Formate) |
| Formula: | C16 H12 N2 O8 Ru2 |
| Formal charge: | null |
| Formula weight: | 562.415 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 12,14-diphenyl-2,4,6,8,9$l^{3},11-hexaoxa-12,14$l^{4}-diaza-1$l^{5},5$l^{5}-diruthenatetracyclo[3.3.3.3^{1,5}.0^{1,5}]tetradeca-9,13-diene-3,7-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11N2.2CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*2-1(3)4;2-1-3;;/h1-11H;2*(H2,2,3,4);1H,(H,2,3);;/q-1;;;;+2;+4/p-5 |
| InChIKey | InChI | 1.06 | FWVIJSJCFHNTCV-UHFFFAOYSA-I |
| SMILES_CANONICAL | CACTVS | 3.385 | O=CO[Ru]1(OC(=O)O[Ru]OC(=O)O1)N(C=Nc2ccccc2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | O=CO[Ru]1(OC(=O)O[Ru]OC(=O)O1)N(C=Nc2ccccc2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[N]2=CN([Ru]345[Ru]2(O=CO3)(OC(=O)O4)OC(=O)O5)c6ccccc6 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1ccc(cc1)[N]2=CN([Ru]345[Ru]2(O=CO3)(OC(=O)O4)OC(=O)O5)c6ccccc6 |
