| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H8FN3O3.C12H11N2.CO.ClH.Ru/c18-6-3-9-12-13(17(24)21-16(12)23)11-8-4-7(22)1-2-10(8)20-15(11)14(9)19-5-6;1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12;1-2;;/h1-5H,(H3,19,20,21,22,23,24);1-9H,10H2;;1H;/q;-1;;;+3/p-2 |
| InChIKey | InChI | 1.06 | CKLLNPJPVSFCGU-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+] |
| SMILES | CACTVS | 3.385 | OC1=CC2=C3C(=C4N(C=C(F)C=C4C5=C3C(=O)NC5=O)[Ru](Cl)N(Cc6ccccn6)c7ccccc7)N=C2C=C1.[C-]#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CC3=[N]([Ru]24(N5C=C(C=C6C5=C7[N]4=C8C=CC(=CC8=C7C9=C6C(=O)NC9=O)O)F)(C#O)Cl)C=CC=C3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CC3=[N]([Ru]24(N5C=C(C=C6C5=C7[N]4=C8C=CC(=CC8=C7C9=C6C(=O)NC9=O)O)F)(C#O)Cl)C=CC=C3 |
