JID
Summary
| Name: | polyoxomolybdate cluster Mo11 |
| Formula: | H3 Mo11 O29 |
| Formal charge: | null |
| Formula weight: | 1522.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | oxidanyl-[1,1,3,3,5,5,7,9,9,11,11,13,13,15-tetradecakis($l^{1}-oxidanyl)-6,8-bis(oxidanylmolybdenio)-2$l^{4},4$l^{3},6$l^{4},8$l^{4},10,12,14$l^{3},16$l^{3},17,18,19,20-dodecaoxa-1$l^{6},3$l^{6},5$l^{6},7$l^{4},9$l^{6},11$l^{6},13$l^{6},15$l^{4}-octamolybdaundecacyclo[7.7.1.1^{1,3}.1^{3,5}.1^{5,13}.0^{2,7}.0^{4,15}.0^{6,13}.0^{8,11}.0^{9,16}.0^{11,14}]icosan-2-yl]molybdenum |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/11Mo.17H2O.12O/h;;;;;;;;;;;17*1H2;;;;;;;;;;;;/q5*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-17 |
| InChIKey | InChI | 1.06 | FJRLUCFNPRJGEM-UHFFFAOYSA-A |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O[Mo][O]12[Mo]3O[Mo]14O[Mo]5O[Mo]6(O3)O[Mo]7O[Mo]8(O5)O[Mo](O4)[O]8([Mo]O)[Mo]2[O]67[Mo]O |
| SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O[Mo][O]12[Mo]3O[Mo]14O[Mo]5O[Mo]6(O3)O[Mo]7O[Mo]8(O5)O[Mo](O4)[O]8([Mo]O)[Mo]2[O]67[Mo]O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | O[Mo]O12[Mo]3(O4([Mo]56(O[Mo]17(O5[Mo]8(O9[Mo]2(O7)(O[Mo]91(O3([Mo]2(O1)(O8[Mo]4(O6)(O2)([O])[O])([O])[O])[Mo]O)([O])[O])([O])[O])[O])([O])[O])([O])[O])[Mo]O)[O] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | O[Mo]O12[Mo]3(O4([Mo]56(O[Mo]17(O5[Mo]8(O9[Mo]2(O7)(O[Mo]91(O3([Mo]2(O1)(O8[Mo]4(O6)(O2)([O])[O])([O])[O])[Mo]O)([O])[O])([O])[O])[O])([O])[O])([O])[O])[Mo]O)[O] |
