| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3 |
| InChIKey | InChI | 1.03 | LVZSQWIWCANHPF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-] |
