Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC3C(=C)\C(=C/C=C1\CCCC2(CCCCCCC(O)(C)C)CCCC12)CC(O)C3 |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(O)CCCCCC[C@@]12CCC[C@H]1C(/CCC2)=C/C=C3/C[C@@H](O)C[C@H](O)C3=C |
SMILES | CACTVS | 3.370 | CC(C)(O)CCCCCC[C]12CCC[CH]1C(CCC2)=CC=C3C[CH](O)C[CH](O)C3=C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(CCCCCC[C@@]12CCC[C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O)O)/CCC2)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(CCCCCCC12CCCC1C(=CC=C3CC(CC(C3=C)O)O)CCC2)O |
InChI | InChI | 1.03 | InChI=1S/C27H44O3/c1-20-22(18-23(28)19-25(20)29)13-12-21-10-8-16-27(17-9-11-24(21)27)15-7-5-4-6-14-26(2,3)30/h12-13,23-25,28-30H,1,4-11,14-19H2,2-3H3/b21-12+,22-13-/t23-,24+,25+,27-/m1/s1 |
InChIKey | InChI | 1.03 | FJGYNKGWOKETAA-AXVRRUDCSA-N |