D0X
Summary
| Name: | [Ru(eta(6)-p-cymene)Cl-2(pta) |
| Formula: | C15 H24 Cl2 N3 P Ru |
| Formal charge: | null |
| Formula weight: | 449.321 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | dichlorido[(1,2,3,4,5,6-eta)-1-ethyl-4-methylbenzene][(1s,3s,5s)-1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]decan-7-yl]ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC=12[CH]3=[CH]4C5(CC)=[CH]6[CH]=1[Ru]43625(Cl)(Cl)P12CN3CN(CN(C2)C3)C1 |
| InChI | InChI | 1.06 | InChI=1S/C9H12.C6H12N3P.2ClH.Ru/c1-3-9-6-4-8(2)5-7-9;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h4-7H,3H2,1-2H3;1-6H2;2*1H;/q;;;;+1/p-1 |
| InChIKey | InChI | 1.06 | GVBOLRJRTORCMM-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC1=CC=C(C)C=C1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4 |
| SMILES | CACTVS | 3.385 | CCC1=CC=C(C)C=C1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCC12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCC12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl |
