Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)C(C(c2ccc(O)cc2)CC)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H]([C@H](CC)c1ccc(O)cc1)c2ccc(O)cc2 |
SMILES | CACTVS | 3.341 | CC[CH]([CH](CC)c1ccc(O)cc1)c2ccc(O)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@@H](c1ccc(cc1)O)[C@H](CC)c2ccc(cc2)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(c1ccc(cc1)O)C(CC)c2ccc(cc2)O |
InChI | InChI | 1.03 | InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+ |
InChIKey | InChI | 1.03 | PBBGSZCBWVPOOL-HDICACEKSA-N |