| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C2(O)c1c(sc(c1)/C=C/C)C(O)C(O)C2 |
| SMILES_CANONICAL | CACTVS | 3.352 | C\C=C\c1sc2[C@@H](O)[C@H](O)C[C@](O)(C(O)=O)c2c1 |
| SMILES | CACTVS | 3.352 | CC=Cc1sc2[CH](O)[CH](O)C[C](O)(C(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C\C=C\c1cc2c(s1)[C@H]([C@@H](C[C@@]2(C(=O)O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC=Cc1cc2c(s1)C(C(CC2(C(=O)O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H14O5S/c1-2-3-6-4-7-10(18-6)9(14)8(13)5-12(7,17)11(15)16/h2-4,8-9,13-14,17H,5H2,1H3,(H,15,16)/b3-2+/t8-,9+,12-/m1/s1 |
| InChIKey | InChI | 1.03 | XBFFFFBWIVSOII-PJMUFDJCSA-N |
