種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/8Mo.14H2O.12O/h;;;;;;;;14*1H2;;;;;;;;;;;;/q2*+1;6*+2;;;;;;;;;;;;;;;;;;;;;;;;;;/p-14 |
InChIKey | InChI | 1.03 | VDJFCWAFEZEUOL-UHFFFAOYSA-A |
SMILES_CANONICAL | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4 |
SMILES | CACTVS | 3.385 | O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Mo]O[Mo]12O[Mo]34O[Mo]5O[Mo]6O[Mo]7(O6)O[Mo](O5)[O]13[Mo](O7)(O2)O4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O] |
SMILES | OpenEye OEToolkits | 2.0.7 | [O][Mo]12(O[Mo]34(O1[Mo]56(O2[Mo]78(O59[Mo]1(O7)(O[Mo]2(O1[Mo]91(O8)(O2[Mo](O13)(O6)(O4)([O])[O])[O])([O])[O])([O])[O])([O])[O])[O])([O])[O])[O] |