| 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)ccc1 |
| InChI | InChI | 1.03 | InChI=1S/C20H19NO7S2/c22-15-2-1-3-17(12-15)29(25,26)16-6-4-14(5-7-16)10-11-21-30(27,28)18-8-9-19(23)20(24)13-18/h1-9,12-13,21-24H,10-11H2 |
| InChIKey | InChI | 1.03 | WVXXJFOMKHHPNL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)[S](=O)(=O)c2ccc(CCN[S](=O)(=O)c3ccc(O)c(O)c3)cc2 |
| SMILES | CACTVS | 3.385 | Oc1cccc(c1)[S](=O)(=O)c2ccc(CCN[S](=O)(=O)c3ccc(O)c(O)c3)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CCNS(=O)(=O)c3ccc(c(c3)O)O)O |
