| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(OCC)C=12[CH]3=[CH]4C5[CH]=1[Ru]43152([CH]#[O+])n2cccc3c2c2c(c4cc(O)ccc4n21)c1C(=O)NC(=O)c13 |
| InChI | InChI | 1.06 | InChI=1S/C17H9N3O3.C8H9O2.CHO.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;1-2-10-8(9)7-5-3-4-6-7;1-2;/h1-6H,(H3,18,19,20,21,22,23);3-6H,2H2,1H3;1H;/q;;2*+1/p-1 |
| InChIKey | InChI | 1.06 | WYWPGWKYHCIADR-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1=C[C@@H]([Ru]n2c3ccc(O)cc3c4c2c5ncccc5c6C(=O)NC(=O)c46)C=C1.C#[O+] |
| SMILES | CACTVS | 3.385 | CCOC(=O)C1=C[CH]([Ru]n2c3ccc(O)cc3c4c2c5ncccc5c6C(=O)NC(=O)c46)C=C1.C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)C12=[CH]3[Ru]1456([CH]2=[CH]4C53)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#[O+] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCOC(=O)C12=[CH]3[Ru]1456([CH]2=[CH]4C53)(n7c8ccc(cc8c9c7c1c(c2c9C(=O)NC2=O)C=CC=[N]61)O)[CH]#[O+] |
