Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(ccc(c1)O)C(CC)C(c2ccc(O)cc2)c3ccccc3 |
InChI | InChI | 1.03 | InChI=1S/C22H22O2/c1-2-21(16-8-12-19(23)13-9-16)22(17-6-4-3-5-7-17)18-10-14-20(24)15-11-18/h3-15,21-24H,2H2,1H3/t21-,22+/m0/s1 |
InChIKey | InChI | 1.03 | KTDYSTOLKGILFR-FCHUYYIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H]([C@H](c1ccccc1)c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES | CACTVS | 3.385 | CC[CH]([CH](c1ccccc1)c2ccc(O)cc2)c3ccc(O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC[C@@H](c1ccc(cc1)O)[C@H](c2ccccc2)c3ccc(cc3)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(c1ccc(cc1)O)C(c2ccccc2)c3ccc(cc3)O |