Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | O[CH]1Cc2c(ccc3c4ccccc4c5ccccc5c23)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c3ccccc3c4c2ccc5c4C[C@@H]([C@@H]([C@H]5O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)c3ccccc3c4c2ccc5c4CC(C(C5O)O)O |
InChI | InChI | 1.03 | InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1 |
InChIKey | InChI | 1.03 | GSKJTEFMUWIEJJ-BVSLBCMMSA-N |