A1IW2
Summary
| Name: | 6,6,7,7-tetrakis($l^{3}-oxidanylidynemethyl)-1$l^{3},5$l^{3}-dithia-3-aza-6$l^{5},7$l^{4}-diferrabicyclo[3.1.1]heptane-6-carbonitrile |
| Formula: | C7 H5 Fe2 N2 O4 S2 |
| Formal charge: | 2 |
| Formula weight: | 356.946 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [6-cyano-7,7-bis($l^{3}-oxidanylidynemethyl)-6-(oxidaniumylidynemethyl)-1$l^{3},5$l^{3}-dithia-3-aza-6$l^{5},7$l^{4}-diferrabicyclo[3.1.1]heptan-6-yl]methylidyneoxidanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C2H7NS2.CN.4CO.2Fe/c4-1-3-2-5;5*1-2;;/h3-5H,1-2H2;;;;;;;/q;;4*+1;;/p-2 |
| InChIKey | InChI | 1.06 | XFZOTBOGDANNAV-UHFFFAOYSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | N#C[Fe]1(C#[O+])(C#[O+])[S-]2CNC[S-]1[Fe]2(C#[O+])C#[O+] |
| SMILES | CACTVS | 3.385 | N#C[Fe]1(C#[O+])(C#[O+])[S-]2CNC[S-]1[Fe]2(C#[O+])C#[O+] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1NC[S-]2[Fe]([S-]1[Fe]2(C#N)(C#[O+])C#[O+])(C#[O+])C#[O+] |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1NC[S-]2[Fe]([S-]1[Fe]2(C#N)(C#[O+])C#[O+])(C#[O+])C#[O+] |
