A1JKD
Summary
| Name: | Ruthenium[II]-1,3,5-triisopropylbenzene-phosphaadamantane |
| Formula: | C21 H36 N3 P Ru |
| Formal charge: | null |
| Formula weight: | 462.574 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(1s,3s,5s)-1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]decan-7-yl][(1,2,3,4,5,6-eta)-1,3,5-tri(propan-2-yl)benzene]ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C12=[CH]3C4(=[CH]5C6(=[CH]1[Ru]35264P12CN3CN(CN(C2)C3)C1)C(C)C)C(C)C |
| InChI | InChI | 1.06 | InChI=1S/C15H24.C6H12N3P.Ru/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6;1-7-2-9-3-8(1)5-10(4-7)6-9;/h7-12H,1-6H3;1-6H2;/q;;-1/p+1 |
| InChIKey | InChI | 1.06 | FKJHCUPZJSBHLA-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ru].CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C.C2N3CN4CN2CP(C3)C4 |
| SMILES | CACTVS | 3.385 | [Ru].CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C.C2N3CN4CN2CP(C3)C4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)C12=[CH]3[Ru]1456([CH]2=C4([CH]5=C63C(C)C)C(C)C)[P]78CN9CN(C7)CN(C9)C8 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)C12=[CH]3[Ru]1456([CH]2=C4([CH]5=C63C(C)C)C(C)C)[P]78CN9CN(C7)CN(C9)C8 |
