| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C3(O)C=C(c2cccc(Sc1ccccc1)c2)C(O)C(O)C3 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1C[C@@](O)(C=C([C@H]1O)c2cccc(Sc3ccccc3)c2)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1C[C](O)(C=C([CH]1O)c2cccc(Sc3ccccc3)c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Sc2cccc(c2)C3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)Sc2cccc(c2)C3=CC(CC(C3O)O)(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H18O5S/c20-16-11-19(24,18(22)23)10-15(17(16)21)12-5-4-8-14(9-12)25-13-6-2-1-3-7-13/h1-10,16-17,20-21,24H,11H2,(H,22,23)/t16-,17-,19+/m1/s1 |
| InChIKey | InChI | 1.03 | QMNMNSINKIFYBV-LMMKCTJWSA-N |
