| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C3=C(C(=O)c2c1cccc2O)C(OC4CC(=O)OC34)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1O[C@H]2CC(=O)O[C@@H]2C3=C1C(=O)c4c(O)cccc4C3=O |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH]2CC(=O)O[CH]2C3=C1C(=O)c4c(O)cccc4C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1C2=C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C2=C(C3C(O1)CC(=O)O3)C(=O)c4cccc(c4C2=O)O |
| InChI | InChI | 1.03 | InChI=1S/C16H12O6/c1-6-11-13(16-9(21-6)5-10(18)22-16)14(19)7-3-2-4-8(17)12(7)15(11)20/h2-4,6,9,16-17H,5H2,1H3/t6-,9-,16-/m0/s1 |
| InChIKey | InChI | 1.03 | XUWPJKDMEZSVTP-UOSCCXBLSA-N |
