| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C28H20N2O7/c31-25(29-23-7-3-1-5-21(23)27(33)34)17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36) |
| InChIKey | InChI | 1.03 | UIRNMCRFFYWCBB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4C(=O)O |
