| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=[N+](O)c2ccc(Oc1ccc(cc1OC)CO)c([N+](=O)O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C14H14N2O7/c1-22-14-6-9(8-17)2-4-13(14)23-12-5-3-10(15(18)19)7-11(12)16(20)21/h2-7,17H,8H2,1H3,(H,18,19)(H,20,21)/q+2 |
| InChIKey | InChI | 1.03 | RYNICYNSKYXXPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CO)ccc1Oc2ccc(cc2[N+](O)=O)[N+](O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(CO)ccc1Oc2ccc(cc2[N+](O)=O)[N+](O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1cc(ccc1Oc2ccc(cc2[N+](=O)O)[N+](=O)O)CO |
