| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | OC(c1cccc(c1)C=2NC(C(O)=O)=C(O)C(C=2)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO6/c15-9-5-8(14-10(11(9)16)13(19)20)6-2-1-3-7(4-6)12(17)18/h1-5,16H,(H,14,15)(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | CHARUKBQSGEOIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(O)=O)O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(O)=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)O)O |
