NFE
Summary
| Name: | NI-FE ACTIVE CENTER |
| Formula: | C2 Fe Ni O3 S2 |
| Formal charge: | null |
| Formula weight: | 250.688 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | For multi-component charged structures, a total zero charge is required! |
| OpenEye OEToolkits | 3.1.0.0 | nickeliosulfanyl-bis(oxidaniumylidynemethyl)-(oxidanylidene-$l^{3}-sulfanyl)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O+]#C[Fe](C#[O+])(S[Ni])S=O |
| InChI | InChI | 1.06 | InChI=1S/2CO.Fe.Ni.OS.S/c2*1-2;;;1-2;/q2*+1;;;; |
| InChIKey | InChI | 1.06 | RBNXEFNWWKYZOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni]S[Fe](C#[O+])C#[O+].O=S |
| SMILES | CACTVS | 3.385 | [Ni]S[Fe](C#[O+])C#[O+].O=S |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Fe](C#[O+])([S]=O)S[Ni] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Fe](C#[O+])([S]=O)S[Ni] |
