ZWH
Summary
| Name: | 3-[7-(3-hydroxy-3-oxopropyl)-10-methyl-12,14-diphenyl-2$l^{3},4,6$l^{3},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-2,6,9,13-tetraen-3-yl]propanoic acid |
| Formula: | C23 H24 N2 O10 Ru2 |
| Formal charge: | null |
| Formula weight: | 690.584 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 3-[7-(3-hydroxy-3-oxopropyl)-10-methyl-12,14-diphenyl-2$l^{3},4,6$l^{3},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-2,6,9,13-tetraen-3-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11N2.2C4H6O4.C2H4O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2*5-3(6)1-2-4(7)8;1-2(3)4;;/h1-11H;2*1-2H2,(H,5,6)(H,7,8);1H3,(H,3,4);;/q-1;;;;+1;+3/p-3 |
| InChIKey | InChI | 1.06 | YMJRUVGKXMVWMW-UHFFFAOYSA-K |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)O[Ru](OC(=O)CCC(O)=O)N(C=Nc1ccccc1)c2ccccc2.OC(=O)CCC(=O)O[Ru] |
| SMILES | CACTVS | 3.385 | CC(=O)O[Ru](OC(=O)CCC(O)=O)N(C=Nc1ccccc1)c2ccccc2.OC(=O)CCC(=O)O[Ru] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=O[Ru]234[N](=CN([Ru]2(O1)(O=C(O3)CCC(=O)O)OC(=O4)CCC(=O)O)c5ccccc5)c6ccccc6 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=O[Ru]234[N](=CN([Ru]2(O1)(O=C(O3)CCC(=O)O)OC(=O4)CCC(=O)O)c5ccccc5)c6ccccc6 |
