Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H16O7/c14-8-9(15)11(20-12(17)10(8)16)13(18)19-6-7-4-2-1-3-5-7/h1-5,8-12,14-17H,6H2/t8-,9-,10+,11-,12-/m0/s1 |
InChIKey | InChI | 1.03 | MYEUFSLWFIOAGY-SVNGYHJRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)OCc2ccccc2 |
SMILES | CACTVS | 3.385 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(=O)OCc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COC(=O)C2C(C(C(C(O2)O)O)O)O |