| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c1cc(\N=[N+]=[N-])ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO |
| InChI | InChI | 1.03 | InChI=1S/C18H28N6O6/c19-22-21-12-5-6-13(14(9-12)24(29)30)20-7-3-1-2-4-8-23-10-16(26)18(28)17(27)15(23)11-25/h5-6,9,15-18,20,25-28H,1-4,7-8,10-11H2/t15-,16+,17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | WSZFAXCTHDAHNX-XMTFNYHQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-] |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN2C[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCCCCN2CC(C(C(C2CO)O)O)O |
