HRU
Summary
| Name: | (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium |
| Formula: | C12 H22 N2 Ru |
| Formal charge: | 0 |
| Formula weight: | 295.386 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C7[NH2+][Ru]65432(C1C6C5(C4C3C12C(C)C)C)[NH2+]C7 |
| InChI | InChI | 1.03 | InChI=1S/C10H14.C2H8N2.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;/h4-8H,1-3H3;1-4H2;/q;; |
| InChIKey | InChI | 1.03 | ONRAUXPVDLKQOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | [Ru]|1|2|3|4|5|6(|NCCN|1)|C7C|2C|3(C|4C|5C|67C)C(C)C |
| SMILES | CACTVS | 3.370 | [Ru]|1|2|3|4|5|6(|NCCN|1)|C7C|2C|3(C|4C|5C|67C)C(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7 |
