KBW
Summary
| Name: | Re4(mu3-OH)4(CO)12 |
| Formula: | C12 H4 O16 Re4 |
| Formal charge: | null |
| Formula weight: | 1148.979 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | [2,2,4,4,4,6,6,6,8,8,8-undecakis(oxidaniumylidynemethyl)-1$l^{4},3$l^{4},5$l^{4},7$l^{4}-tetraoxa-2$l^{6},4$l^{6},6$l^{6},8$l^{6}-tetrarhenapentacyclo[4.2.0.0^{2,5}.0^{3,8}.0^{4,7}]octan-2-yl]methylidyneoxidanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/12CO.4HO.4Re/c12*1-2;;;;;;;;/h;;;;;;;;;;;;4*1H;;;;/q12*+1;;;;;;;; |
| InChIKey | InChI | 1.06 | HUZNKEGRXAJPTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [O+]#C[Re]12(C#[O+])(C#[O+])[OH]3[Re]4(C#[O+])(C#[O+])(C#[O+])[OH]1[Re]5(C#[O+])(C#[O+])(C#[O+])[OH]2[Re]3(C#[O+])(C#[O+])(C#[O+])[OH]45 |
| SMILES | CACTVS | 3.385 | [O+]#C[Re]12(C#[O+])(C#[O+])[OH]3[Re]4(C#[O+])(C#[O+])(C#[O+])[OH]1[Re]5(C#[O+])(C#[O+])(C#[O+])[OH]2[Re]3(C#[O+])(C#[O+])(C#[O+])[OH]45 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Re]12([OH]3[Re]4([OH]1[Re]5([OH]2[Re]3([OH]45)(C#[O+])(C#[O+])C#[O+])(C#[O+])(C#[O+])C#[O+])(C#[O+])(C#[O+])C#[O+])(C#[O+])C#[O+] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Re]12([OH]3[Re]4([OH]1[Re]5([OH]2[Re]3([OH]45)(C#[O+])(C#[O+])C#[O+])(C#[O+])(C#[O+])C#[O+])(C#[O+])(C#[O+])C#[O+])(C#[O+])C#[O+] |
