Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C(O)C(O)C(OC1CO)c2cc(O)ccc2O |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2cc(O)ccc2O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2cc(O)ccc2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1O)C2C(C(C(C(O2)CO)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C12H16O7/c13-4-8-9(16)10(17)11(18)12(19-8)6-3-5(14)1-2-7(6)15/h1-3,8-18H,4H2/t8-,9-,10+,11-,12+/m1/s1 |
InChIKey | InChI | 1.03 | QRWWXASRKFWQRP-ZIQFBCGOSA-N |