JLF
Summary
| Name: | polyoxomolybdate cluster Mo8 |
| Formula: | Mo8 O26 |
| Formal charge: | null |
| Formula weight: | 1183.504 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1,1,3,3,5,5,7,9,9,11,11,13,13,15-tetradecakis($l^{1}-oxidanyl)-2$l^{3},4$l^{3},6$l^{3},8$l^{3},10,12,14$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}]icosane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/8Mo.14H2O.12O/h;;;;;;;;14*1H2;;;;;;;;;;;;/q2*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14 |
| InChIKey | InChI | 1.06 | VDJFCWAFEZEUOL-UHFFFAOYSA-A |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]23O[Mo]O[Mo]14O[Mo]O[Mo]5(O[Mo](O4)O2)O[Mo](O3)O5 |
| SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]23O[Mo]O[Mo]14O[Mo]O[Mo]5(O[Mo](O4)O2)O[Mo](O3)O5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12O3[Mo]45(O[Mo]67(O1[Mo]8(O6)(O[Mo]91(O2[Mo]2(O9)(O[Mo]3(O4)(O2[Mo](O57)(O81)[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12O3[Mo]45(O[Mo]67(O1[Mo]8(O6)(O[Mo]91(O2[Mo]2(O9)(O[Mo]3(O4)(O2[Mo](O57)(O81)[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O])([O])[O] |
