| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | [O-][N+](=O)c2cc(OC1CCCCC1)c(NS(=O)(=O)C)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | C[S](=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3 |
| InChIKey | InChI | 1.03 | KTDZCOWXCWUPEO-UHFFFAOYSA-N |
