| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I |
| InChI | InChI | 1.03 | InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21) |
| InChIKey | InChI | 1.03 | SDRAETFVRBBLOB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13 |
| SMILES | CACTVS | 3.385 | OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O |
