| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)[O-])O |
| InChI | InChI | 1.03 | InChI=1S/C14H18N2O6/c17-12-6-5-10(8-11(12)16(21)22)9-13(18)15-7-3-1-2-4-14(19)20/h5-6,8,17H,1-4,7,9H2,(H,15,18)(H,19,20) |
| InChIKey | InChI | 1.03 | XAYGJFACOIKJCT-UHFFFAOYSA-N |
