| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Oc1cc2c3c4c5n(cccc5c5c3C(=O)NC5=O)[Ru]3567(C#[O+])([CH]8=[CH]3[CH]5=[CH]6C87)n4c2cc1 |
| 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;;2*+1/p-1 |
| InChIKey | InChI | 1.06 | RPMAUCMRLUUZDS-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2n([Ru](C#[O+])C3C=CC=C3)c4c5ncccc5c6C(=O)NC(=O)c6c4c2c1 |
| SMILES | CACTVS | 3.385 | Oc1ccc2n([Ru](C#[O+])C3C=CC=C3)c4c5ncccc5c6C(=O)NC(=O)c6c4c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#[O+])C(=O)NC4=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc2c(cc1O)c3c4c(c5c6c3n2[Ru]7891([N]6=CC=C5)([CH]2=[CH]7C8[CH]9=[CH]12)C#[O+])C(=O)NC4=O |
