LPJ
Summary
| Name: | FE(6)-S(7) CLUSTER |
| Formula: | Fe6 S7 |
| Formal charge: | null |
| Formula weight: | 559.525 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 2,2'-spirobi[2$l^{4},4,6$l^{3},7-tetrathia-1$l^{3},3$l^{3},5$l^{3}-triferratricyclo[3.1.1.0^{3,6}]heptane] |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/6Fe.7S |
| InChIKey | InChI | 1.06 | KLKIXVGTRIXICL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | S1[Fe][S]2([Fe]S[Fe]3S[Fe]2S3)[Fe]4S[Fe]1S4 |
| SMILES | CACTVS | 3.385 | S1[Fe][S]2([Fe]S[Fe]3S[Fe]2S3)[Fe]4S[Fe]1S4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | S1[Fe]2S[Fe]3[S]2[Fe]1S34[Fe]5S[Fe]6[S]5[Fe]4S6 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | S1[Fe]2S[Fe]3[S]2[Fe]1S34[Fe]5S[Fe]6[S]5[Fe]4S6 |
