HRU
Summary
| Name: | chlorido(ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium |
| Formula: | C12 H22 Cl N2 Ru |
| Formal charge: | null |
| Formula weight: | 330.839 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | chlorido(ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)benzene]ruthenium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)C12=[CH]3[CH]4=C5(C)[CH]6=[CH]1[Ru]143652(Cl)[NH2]CC[NH2]1 |
| InChI | InChI | 1.06 | InChI=1S/C10H14.C2H8N2.ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;;/h4-8H,1-3H3;1-4H2;1H;/q;;;+1/p-1 |
| InChIKey | InChI | 1.06 | WIPIOIHPNLTMOI-UHFFFAOYSA-M |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C1=CC=C(C)C=C1.NCCN.Cl[Ru] |
| SMILES | CACTVS | 3.385 | CC(C)C1=CC=C(C)C=C1.NCCN.Cl[Ru] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)C12=[CH]3[Ru]14567([CH]2=[CH]4C5(=[CH]63)C)([NH2]CC[NH2]7)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)C12=[CH]3[Ru]14567([CH]2=[CH]4C5(=[CH]63)C)([NH2]CC[NH2]7)Cl |
