Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | O[CH]1Cc2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H]([C@@H]4O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O |
InChI | InChI | 1.03 | InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 |
InChIKey | InChI | 1.03 | GFANZDFKCCJYRF-NSISKUIASA-N |