CFN
Summary
| Name: | FE(7)-MO-S(9)-N CLUSTER |
| Formula: | Fe7 Mo N S9 |
| Formal charge: | 0 |
| Formula weight: | 789.447 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 4,6$l^{3},8$l^{3},10$l^{3},12,14$l^{3},16$l^{3},17,18$l^{3}-nonathia-2$l^{6}-aza-1$l^{4},3$l^{4},5$l^{4},7$l^{3},9$l^{4},11$l^{4},13$l^{4}-heptaferra-15$l^{3}-molybdatridecacyclo[7.7.1.1^{1,3}.0^{2,5}.0^{2,9}.0^{2,11}.0^{2,13}.0^{3,14}.0^{5,8}.0^{6,11}.0^{7,10}.0^{13,16}.0^{15,18}]octadecane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/7Fe.Mo.N.9S |
| InChIKey | InChI | 1.06 | OSSJGSCTDHHOOW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [N-5].S1[Fe]S[Mo]S[Fe]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2 |
| SMILES | CACTVS | 3.385 | [N-5].S1[Fe]S[Mo]S[Fe]2S[Fe]S[Fe]S[Fe](S[Fe]1)S[Fe]S2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12 |
