| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S |
| InChI | InChI | 1.03 | InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | VVMIJZYWEDEWJA-OOCWMUITSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@H]1O[C@@H](Sc2ccc(I)cc2)[C@H](O)[C@@H](O)[C@@H]1S |
| SMILES | CACTVS | 3.385 | OC[CH]1O[CH](Sc2ccc(I)cc2)[CH](O)[CH](O)[CH]1S |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)S)O)O)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1SC2C(C(C(C(O2)CO)S)O)O)I |
