OEX
Summary
| Name: | CA-MN4-O5 CLUSTER |
| Formula: | Ca Mn4 O5 |
| Formal charge: | 0 |
| Formula weight: | 339.827 Da |
| Component type: | NON-POLYMER |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.02 | InChI=1S/Ca.4Mn.5O |
| InChIKey | InChI | 1.02 | SEXWDHMBWJEXOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn@]456 |
| SMILES | CACTVS | 3.370 | O12|[Ca]3O4|[Mn]1O5|[Mn]2[O]36[Mn]O[Mn]456 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | O1[Mn][O@]23[Mn@@]14[O@]5[Ca]2[O@@]6[Mn]5[O@]4[Mn]36 |
| SMILES | OpenEye OEToolkits | 1.7.0 | O1[Mn]O23[Mn]14O5[Ca]2O6[Mn]5O4[Mn]36 |
