Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)COc1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC |
InChI | InChI | 1.03 | InChI=1S/C27H38O5/c1-8-27(9-2,21-11-13-23(19(4)15-21)32-17-25(29)30)20-10-12-22(18(3)14-20)31-16-24(28)26(5,6)7/h10-15,24,28H,8-9,16-17H2,1-7H3,(H,29,30)/t24-/m0/s1 |
InChIKey | InChI | 1.03 | PMGXXWMCGADHQY-DEOSSOPVSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c2ccc(OCC(O)=O)c(C)c2 |
SMILES | CACTVS | 3.370 | CCC(CC)(c1ccc(OC[CH](O)C(C)(C)C)c(C)c1)c2ccc(OCC(O)=O)c(C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2ccc(c(c2)C)OCC(=O)O |