FNE
Summary
| Name: | (MU-SULPHIDO)-BIS(MU-CYS,S)-[TRICARBONYLIRON-DI-(CYS,S)NICKEL(II)](FE-NI) |
| Formula: | C3 Fe Ni O3 S |
| Formal charge: | null |
| Formula weight: | 230.634 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-tris(oxidaniumylidynemethyl)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | [O+]#C[Fe](C#[O+])(C#[O+])S[Ni] |
| InChI | InChI | 1.06 | InChI=1S/3CO.Fe.Ni.S/c3*1-2;;;/q3*+1;;; |
| InChIKey | InChI | 1.06 | BJXJGAOWKTUSMY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ni]S[Fe@@](C#[O+])(C#[O+])C#[O+] |
| SMILES | CACTVS | 3.385 | [Ni]S[Fe](C#[O+])(C#[O+])C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Fe](C#[O+])(C#[O+])S[Ni] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(#[O+])[Fe](C#[O+])(C#[O+])S[Ni] |
