Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(C1=C(O)C(=C(O)C(C1=O)(C\C=C(/C)C)C\C=C(/C)C)C\C=C(/C)C)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C(=O)C1=C(O)C(=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O)CC=C(C)C |
SMILES | CACTVS | 3.341 | CC(C)C(=O)C1=C(O)C(=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O)CC=C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(=O)C1=C(C(=C(C(C1=O)(CC=C(C)C)CC=C(C)C)O)CC=C(C)C)O |
InChI | InChI | 1.03 | InChI=1S/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3 |
InChIKey | InChI | 1.03 | UNCDMWKTFLUPHZ-UHFFFAOYSA-N |