| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(NC(CCCC(=O)O)=O)ccc(c(c1)C(O)=O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO7/c15-10(2-1-3-11(16)17)14-7-4-5-8(12(18)19)9(6-7)13(20)21/h4-6H,1-3H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21) |
| InChIKey | InChI | 1.03 | XOVXZYVADZDQHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCCC(=O)Nc1ccc(C(O)=O)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1NC(=O)CCCC(=O)O)C(=O)O)C(=O)O |
