Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O(c1ccc(cc1C)C(c2ccc(OCC(O)C(C)(C)C)c(c2)C)(CC)CC)C(CO)CCO |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c2ccc(O[C@@H](CO)CCO)c(C)c2 |
SMILES | CACTVS | 3.370 | CCC(CC)(c1ccc(OC[CH](O)C(C)(C)C)c(C)c1)c2ccc(O[CH](CO)CCO)c(C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC(CC)(c1ccc(c(c1)C)OC[C@@H](C(C)(C)C)O)c2ccc(c(c2)C)O[C@H](CCO)CO |
SMILES | OpenEye OEToolkits | 1.7.0 | CCC(CC)(c1ccc(c(c1)C)OCC(C(C)(C)C)O)c2ccc(c(c2)C)OC(CCO)CO |
InChI | InChI | 1.03 | InChI=1S/C29H44O5/c1-8-29(9-2,23-11-13-26(21(4)17-23)34-24(18-31)14-15-30)22-10-12-25(20(3)16-22)33-19-27(32)28(5,6)7/h10-13,16-17,24,27,30-32H,8-9,14-15,18-19H2,1-7H3/t24-,27+/m1/s1 |
InChIKey | InChI | 1.03 | DKNLNQKPISQAEP-SQHAQQRYSA-N |