GWN
Summary
| Name: | Mo8 cluster |
| Formula: | Mo8 O28 |
| Formal charge: | null |
| Formula weight: | 1215.503 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1,3,5,5,7,7,7,9,11,11,13,13,13,15,15-pentadecakis($l^{1}-oxidanyl)-2$l^{3},4$l^{3},6$l^{3},8$l^{3},10,12$l^{3},14,16$l^{3},17$l^{3},18,19,20,21-tridecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{6},9$l^{6},11$l^{6},13$l^{6},15$l^{6}-octamolybdatridecacyclo[7.7.1.1^{1,3}.1^{3,5}.1^{3,15}.1^{5,7}.0^{1,12}.0^{2,15}.0^{4,9}.0^{6,9}.0^{8,11}.0^{11,17}.0^{13,16}]henicosane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/8Mo.15H2O.13O/h;;;;;;;;15*1H2;;;;;;;;;;;;;/q3*+1;3*+2;2*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-15 |
| InChIKey | InChI | 1.06 | RTMKBNHZIGXMOP-UHFFFAOYSA-A |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]23O[Mo]1O[Mo](O2)O[Mo]45O[Mo](O4)O[Mo]6(O[Mo](O3)O6)O5 |
| SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]23O[Mo]1O[Mo](O2)O[Mo]45O[Mo](O4)O[Mo]6(O[Mo](O3)O6)O5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]8(O5)(O6[Mo]912(O8[Mo]5(O9[Mo]6(O5)(O1[Mo](O73)(O4)(O6)(O2)[O])([O])[O])([O])([O])[O])[O])([O])[O])[O])([O])[O])([O])[O] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12(O[Mo]34(O1[Mo]567(O2[Mo]8(O5)(O6[Mo]912(O8[Mo]5(O9[Mo]6(O5)(O1[Mo](O73)(O4)(O6)(O2)[O])([O])[O])([O])([O])[O])[O])([O])[O])[O])([O])[O])([O])[O] |
