| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2ccc(Oc1ccc(cc1O)CCCCCC)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO4/c1-2-3-4-5-6-14-7-12-18(17(20)13-14)23-16-10-8-15(9-11-16)19(21)22/h7-13,20H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | NNNQXCYHIVPZRH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccc(cc2)[N+]([O-])=O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)[N+](=O)[O-] |
