| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2c(Oc1ccc(cc1O)CCCCCC)cccc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H21NO4/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)23-17-10-7-6-9-15(17)19(21)22/h6-7,9-13,20H,2-5,8H2,1H3 |
| InChIKey | InChI | 1.03 | ASCHWJRXPZBPHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1 |
| SMILES | CACTVS | 3.385 | CCCCCCc1ccc(Oc2ccccc2[N+]([O-])=O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCc1ccc(c(c1)O)Oc2ccccc2[N+](=O)[O-] |
