A1JJS
Summary
| Name: | Ruthenium[II]-toluene-phosphaadamantane |
| Formula: | C13 H15 N3 P Ru |
| Formal charge: | 0 |
| Formula weight: | 345.322 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H3.C6H12N3P.Ru/c1-7-5-3-2-4-6-7;1-7-2-9-3-8(1)5-10(4-7)6-9;/h1H3;1-6H2;/q;;-1/p+1 |
| InChIKey | InChI | 1.06 | ZGQSHMNOKVXRBH-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ru].CC1=CC=CC=C1.C2N3CN4CN2CP(C3)C4 |
| SMILES | CACTVS | 3.385 | [Ru].CC1=CC=CC=C1.C2N3CN4CN2CP(C3)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC12=C3[Ru]1456(C3=C4C5=C62)[P]78CN9CN(C7)CN(C9)C8 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC12=C3[Ru]1456(C3=C4C5=C62)[P]78CN9CN(C7)CN(C9)C8 |
