A1E2V
Summary
| Name: | N-[1,3-bis[(3,5-dimethoxyphenyl)methyl]-2,4,4-tris(oxidanylamino)-1$l^3,3$l^3-dithia-2$l^4,4$l^4-diferracyclobut-2-yl]hydroxylamine |
| Formula: | C18 H30 Fe2 N4 O8 S2 |
| Formal charge: | 0 |
| Formula weight: | 606.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[1,3-bis[(3,5-dimethoxyphenyl)methyl]-2,4,4-tris(oxidanylamino)-1$l^{3},3$l^{3}-dithia-2$l^{4},4$l^{4}-diferracyclobut-2-yl]hydroxylamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/2C9H11O2S.2Fe.4H2NO/c2*1-10-8-3-7(6-12)4-9(5-8)11-2;;;4*1-2/h2*3-5H,6H2,1-2H3;;;4*1-2H/q;;2*+2;4*-1 |
| InChIKey | InChI | 1.06 | UPUOMZICABMRMP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CS[Fe](NO)NO)cc(OC)c1.COc2cc(CS[Fe](NO)NO)cc(OC)c2 |
| SMILES | CACTVS | 3.385 | COc1cc(CS[Fe](NO)NO)cc(OC)c1.COc2cc(CS[Fe](NO)NO)cc(OC)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)C[S]2[Fe]([S]([Fe]2(NO)NO)Cc3cc(cc(c3)OC)OC)(NO)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)C[S]2[Fe]([S]([Fe]2(NO)NO)Cc3cc(cc(c3)OC)OC)(NO)NO |
