| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)C=1NC(SCC=1C)C(NC(=O)CCC(=O)C12[CH]3=[CH]4[CH]5=[CH]1[Ru]34513452[CH]2=[CH]1[CH]3=[CH]4C25)C(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C17H19N2O6S.C5H5.Ru/c1-9-8-26-15(19-13(9)16(22)23)14(17(24)25)18-12(21)7-6-11(20)10-4-2-3-5-10;1-2-4-5-3-1;/h2-5,14-15,19H,6-8H2,1H3,(H,18,21)(H,22,23)(H,24,25);1-5H;/t14-,15+;;/m0../s1 |
| InChIKey | InChI | 1.06 | RODYUOCEXNRXSR-FZMMWMHASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(N[C@H](SC1)[C@H](NC(=O)CCC(=O)C2([Ru]C3C=CC=C3)C=CC=C2)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC1=C(N[CH](SC1)[CH](NC(=O)CCC(=O)C2([Ru]C3C=CC=C3)C=CC=C2)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC1=C(N[C@H](SC1)[C@@H](C(=O)O)NC(=O)CCC(=O)C23[CH]4=[CH]5[Ru]4267891([CH]5=[CH]63)[CH]2=[CH]7C8[CH]9=[CH]12)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1=C(NC(SC1)C(C(=O)O)NC(=O)CCC(=O)C23[CH]4=[CH]5[Ru]4267891([CH]5=[CH]63)[CH]2=[CH]7C8[CH]9=[CH]12)C(=O)O |
