| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Ic1cc(cc([N+]([O-])=O)c1O)CC(=O)NCCCCCC([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1c(I)cc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Oc1c(I)cc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1[N+](=O)[O-])O)I)CC(=O)NCCCCCC(=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C14H17IN2O6/c15-10-6-9(7-11(14(10)21)17(22)23)8-12(18)16-5-3-1-2-4-13(19)20/h6-7,21H,1-5,8H2,(H,16,18)(H,19,20)/p-1 |
| InChIKey | InChI | 1.03 | LKGGMBQFWIIXJM-UHFFFAOYSA-M |
