Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1OC(O)C(=C1)CC/C=C(\C)CC\C=C(/C)CCC2=C(C)CCCC2(C)C |
InChI | InChI | 1.03 | InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+/t24-/m0/s1 |
InChIKey | InChI | 1.03 | JPWPYTMXSXYUPG-XKILHPSWSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | C\C(CC\C=C(C)\CCC1=C(C)CCCC1(C)C)=C/CCC2=CC(=O)O[C@@H]2O |
SMILES | CACTVS | 3.370 | CC(CCC=C(C)CCC1=C(C)CCCC1(C)C)=CCCC2=CC(=O)O[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=CC(=O)O[C@@H]2O)/C)/C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCCC2=CC(=O)OC2O)C)C |