| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)O)c2O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F |
| SMILES | CACTVS | 3.341 | OC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)NCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H12F2INO4/c17-9-1-2-10(12(18)7-9)8-5-11(15(23)13(19)6-8)16(24)20-4-3-14(21)22/h1-2,5-7,23H,3-4H2,(H,20,24)(H,21,22) |
| InChIKey | InChI | 1.03 | YZQVXOZCPWWABX-UHFFFAOYSA-N |
