| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Oc1ccc(cc1O)S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)c1cc(O)c(O)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C20H19NO8S2/c22-17-7-5-15(11-19(17)24)30(26,27)14-3-1-13(2-4-14)9-10-21-31(28,29)16-6-8-18(23)20(25)12-16/h1-8,11-12,21-25H,9-10H2 |
| InChIKey | InChI | 1.06 | OBMHHGDFJPTOQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(cc1O)[S](=O)(=O)NCCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3 |
| SMILES | CACTVS | 3.385 | Oc1ccc(cc1O)[S](=O)(=O)NCCc2ccc(cc2)[S](=O)(=O)c3ccc(O)c(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCNS(=O)(=O)c2ccc(c(c2)O)O)S(=O)(=O)c3ccc(c(c3)O)O |
