Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1cc(cc(O)c1O)C3Oc2cc(O)cc(O)c2CC3O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3 |
SMILES | CACTVS | 3.341 | O[CH]1Cc2c(O)cc(O)cc2O[CH]1c3cc(O)c(O)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1O)O)O)C2C(Cc3c(cc(cc3O2)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1 |
InChIKey | InChI | 1.03 | XMOCLSLCDHWDHP-IUODEOHRSA-N |