| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H9N3O3.C5H5.CO.Ru/c21-7-3-4-10-9(6-7)11-13-12(16(22)20-17(13)23)8-2-1-5-18-14(8)15(11)19-10;1-2-4-5-3-1;1-2;/h1-6H,(H3,18,19,20,21,22,23);1-5H;;/q;;;+1/p-1 |
| InChIKey | InChI | 1.06 | KERGYDCAYYYADM-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC2=C3C(=C4N([Ru]C5C=CC=C5)C=CC=C4C6=C3C(=O)NC6=O)N=C2C=C1.[C-]#[O+] |
| SMILES | CACTVS | 3.385 | OC1=CC2=C3C(=C4N([Ru]C5C=CC=C5)C=CC=C4C6=C3C(=O)NC6=O)N=C2C=C1.[C-]#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=CC(C=C1)[Ru]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=CC(C=C1)[Ru]2(N3C=CC=C4C3=C5[N]2=C6C=CC(=CC6=C5C7=C4C(=O)NC7=O)O)C#O |
