| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Ic2cc(Oc1c(I)cc(cc1I)CC(=O)O)cc(I)c2O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 |
| SMILES | CACTVS | 3.341 | OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1I)Oc2cc(c(c(c2)I)O)I)I)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C14H8I4O4/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H,19,20) |
| InChIKey | InChI | 1.03 | PPJYSSNKSXAVDB-UHFFFAOYSA-N |
