Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c1ccc(cc1)C(c2ccc(OCC(O)C(C)(C)C)cc2)(C)C)CC(O)CO |
InChI | InChI | 1.03 | InChI=1S/C24H34O5/c1-23(2,3)22(27)16-29-21-12-8-18(9-13-21)24(4,5)17-6-10-20(11-7-17)28-15-19(26)14-25/h6-13,19,22,25-27H,14-16H2,1-5H3/t19-,22-/m0/s1 |
InChIKey | InChI | 1.03 | NSXHQTLHHLJUGK-UGKGYDQZSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)[C@@H](O)COc1ccc(cc1)C(C)(C)c2ccc(OC[C@@H](O)CO)cc2 |
SMILES | CACTVS | 3.370 | CC(C)(C)[CH](O)COc1ccc(cc1)C(C)(C)c2ccc(OC[CH](O)CO)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)[C@H](COc1ccc(cc1)C(C)(C)c2ccc(cc2)OC[C@H](CO)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)C(COc1ccc(cc1)C(C)(C)c2ccc(cc2)OCC(CO)O)O |