Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H21ClO8/c1-27-19(26)12-4-2-3-10(7-12)11-5-6-14(13(21)8-11)28-20-18(25)17(24)16(23)15(9-22)29-20/h2-8,15-18,20,22-25H,9H2,1H3/t15-,16-,17+,18+,20+/m1/s1 |
InChIKey | InChI | 1.03 | PDLRSZVVAYSCAH-JGLNRKDHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(Cl)c2 |
SMILES | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(Cl)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cccc(c1)c2ccc(c(c2)Cl)OC3C(C(C(C(O3)CO)O)O)O |