RMD
Summary
| Name: | [(1,2,5,6-eta)-cycloocta-1,5-diene]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium |
| Formula: | C19 H24 N O2 Rh |
| Formal charge: | null |
| Formula weight: | 401.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | [(1,2,5,6-eta)-cycloocta-1,5-diene]{(1,2,3,4,5-eta)-1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]cyclopentadienyl}rhodium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1CCC(=O)N1CCC12[CH]3=[CH]4[CH]5=[CH]1[Rh]3451342[CH]=2CC[CH]4=[CH]3CC[CH]=21 |
| InChI | InChI | 1.06 | InChI=1S/C11H12NO2.C8H12.Rh/c13-10-5-6-11(14)12(10)8-7-9-3-1-2-4-9;1-2-4-6-8-7-5-3-1;/h1-4H,5-8H2;1-2,7-8H,3-6H2;/b;2-1-,8-7-; |
| InChIKey | InChI | 1.06 | SZAWNSHHLUVDRC-GHDUESPLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Rh]C1(CCN2C(=O)CCC2=O)C=CC=C1.C3CC=CCCC=C3 |
| SMILES | CACTVS | 3.385 | [Rh]C1(CCN2C(=O)CCC2=O)C=CC=C1.C3CC=CCCC=C3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1C[CH]2=[CH]3[Rh]245678([CH]1=[CH]4CC3)[CH]9=[CH]5C6([CH]7=[CH]89)CCN1C(=O)CCC1=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1C[CH]2=[CH]3[Rh]245678([CH]1=[CH]4CC3)[CH]9=[CH]5C6([CH]7=[CH]89)CCN1C(=O)CCC1=O |
