NFE
Summary
| Name: | NI-FE ACTIVE CENTER |
| Formula: | C2 H Fe Ni O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 251.696 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.5.0 | (hydroxysulfanyl-bis(oxomethylidene)ferrio)sulfanylnickel |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.341 | OS[Fe@](S[Ni])(=C=O)=C=O |
| SMILES | CACTVS | 3.341 | OS[Fe](S[Ni])(=C=O)=C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(=O)=[Fe](=C=O)(SO)S[Ni] |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(=O)=[Fe](=C=O)(SO)S[Ni] |
| InChI | InChI | 1.03 | InChI=1S/2CO.Fe.Ni.H2OS.S/c2*1-2;;;1-2;/h;;;;1-2H;/q;;+1;;;/p-1 |
| InChIKey | InChI | 1.03 | BWHVFYQLNHWUMU-UHFFFAOYSA-M |
