YWR
Summary
| Name: | K2[Ru2(DAniF)(CO3)3] |
| Formula: | C18 H15 N2 O11 Ru2 |
| Formal charge: | null |
| Formula weight: | 637.458 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 12,14-bis(4-methoxyphenyl)-2,4,6,8,9,11-hexaoxa-12$l^{4},14-diaza-1$l^{5},5$l^{5}-diruthenatetracyclo[3.3.3.3^{1,5}.0^{1,5}]tetradec-12-ene-3,7,10-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H15N2O2.3CH2O3.2Ru/c1-18-14-7-3-12(4-8-14)16-11-17-13-5-9-15(19-2)10-6-13;3*2-1(3)4;;/h3-11H,1-2H3;3*(H2,2,3,4);;/q-1;;;;+3;+4/p-6 |
| InChIKey | InChI | 1.06 | ITLZMYGLOWNWPO-UHFFFAOYSA-H |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)N=CN(c2ccc(OC)cc2)[Ru]34OC(=O)O[Ru](OC(=O)O3)OC(=O)O4 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)N=CN(c2ccc(OC)cc2)[Ru]34OC(=O)O[Ru](OC(=O)O3)OC(=O)O4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)[N]2=CN([Ru]345[Ru]2(OC(=O)O3)(OC(=O)O4)OC(=O)O5)c6ccc(cc6)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)[N]2=CN([Ru]345[Ru]2(OC(=O)O3)(OC(=O)O4)OC(=O)O5)c6ccc(cc6)OC |
