| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c2sc(c1ccc(O)cc1)c(Br)c2OCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)COc1c(Br)c(sc1C(O)=O)c2ccc(O)cc2 |
| SMILES | CACTVS | 3.341 | OC(=O)COc1c(Br)c(sc1C(O)=O)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1c2c(c(c(s2)C(=O)O)OCC(=O)O)Br)O |
| InChI | InChI | 1.03 | InChI=1S/C13H9BrO6S/c14-9-10(20-5-8(16)17)12(13(18)19)21-11(9)6-1-3-7(15)4-2-6/h1-4,15H,5H2,(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.03 | QZWUMLLRAVGBHC-UHFFFAOYSA-N |
