| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2NCCCCCN5O[Fe]314(ON(C(=O1)CC2)CCCCCNC(=O)CCC(=O3)N(O4)CCCCCN)O=C5C |
| InChI | InChI | 1.03 | InChI=1S/C25H45N6O8.Fe/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;/h2-20,26H2,1H3,(H,27,33)(H,28,34);/q-3;+3 |
| InChIKey | InChI | 1.03 | SRMBQCVUAVULDJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=O|[Fe]2|345|O=C(CCC(=O)NCCCCC[N@@](O2)C(=O|3)CCC(=O)NCCCCC[N@]1O4)N(CCCCCN)O5 |
| SMILES | CACTVS | 3.370 | CC1=O|[Fe]2|345|O=C(CCC(=O)NCCCCC[N](O2)C(=O|3)CCC(=O)NCCCCC[N]1O4)N(CCCCCN)O5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=O[Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCCNC(=O)CCC(=O4)N(O5)CCCCCN |
