| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc(cc(c1O)C(CCCCC)C)[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCC[C@H](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | CCCCC[CH](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3 |
| InChIKey | InChI | 1.03 | RROCMCBQTUYDSD-UHFFFAOYSA-N |
