3IW
Summary
| Name: | (cyanido-kappaC)diformyliron |
| Formula: | C3 H2 Fe N O2 |
| Formal charge: | null |
| Formula weight: | 139.898 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (cyanido-kappaC)diformyliron |
| OpenEye OEToolkits | 3.1.0.0 | cyano(dimethanoyl)iron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | N#C[Fe](C=O)C=O |
| InChI | InChI | 1.06 | InChI=1S/CN.2CHO.Fe/c3*1-2;/h;2*1H; |
| InChIKey | InChI | 1.06 | AWYUYDLUJZAIJH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C[Fe](C=O)C#N |
| SMILES | CACTVS | 3.385 | O=C[Fe](C=O)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(=O)[Fe](C=O)C#N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(=O)[Fe](C=O)C#N |
