J7Q
Summary
| Name: | 1,3,3,3,5,7,7,9,9,9,11,11,11,11,13,13,13-heptadecakis($l^{1}-oxidanyl)-2$l^{4},4,6,8,10,12,14,15,16-nonaoxa-1$l^{4},3$l^{6},5$l^{4},7$l^{5},9$l^{6},11$l^{6},13$l^{6}-heptamolybdapentacyclo[7.5.1.1^{3,13}.0^{2,5}.0^{2,7}]hexadecane |
| Formula: | Mo7 O26 |
| Formal charge: | null |
| Formula weight: | 1087.564 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 1,3,3,3,5,7,7,9,9,9,11,11,11,11,13,13,13-heptadecakis($l^{1}-oxidanyl)-2$l^{4},4,6,8,10,12,14,15,16-nonaoxa-1$l^{4},3$l^{6},5$l^{4},7$l^{5},9$l^{6},11$l^{6},13$l^{6}-heptamolybdapentacyclo[7.5.1.1^{3,13}.0^{2,5}.0^{2,7}]hexadecane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/7Mo.17H2O.9O/h;;;;;;;17*1H2;;;;;;;;;/q2*+1;+2;3*+3;+4;;;;;;;;;;;;;;;;;;;;;;;;;;/p-17 |
| InChIKey | InChI | 1.06 | QGNBBJYGPLOTFJ-UHFFFAOYSA-A |
| SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]2O[Mo]3O[Mo]1O[Mo]4O[Mo]5O[Mo](O2)[O]345 |
| SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O1[Mo]O[Mo]2O[Mo]3O[Mo]1O[Mo]4O[Mo]5O[Mo](O2)[O]345 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12O[Mo]3(O14[Mo]5(O[Mo](O3)(O[Mo](O[Mo](O5)(O[Mo]4(O2)([O])([O])[O])([O])([O])[O])([O])([O])([O])[O])([O])([O])[O])[O])([O])[O] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | [O][Mo]12O[Mo]3(O14[Mo]5(O[Mo](O3)(O[Mo](O[Mo](O5)(O[Mo]4(O2)([O])([O])[O])([O])([O])[O])([O])([O])([O])[O])([O])([O])[O])[O])([O])[O] |
