Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)\C=C(\C=C\C=C(\c1ccc2c(c1)C(CCC2(C)C)(C)C)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(/C=C/C=C(C)/c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(O)=O |
SMILES | CACTVS | 3.341 | CC(C=CC=C(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C\C(=C/C(=O)O)\C=C\C=C(/C)\c1ccc2c(c1)C(CCC2(C)C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=CC(=O)O)C=CC=C(C)c1ccc2c(c1)C(CCC2(C)C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C23H30O2/c1-16(14-21(24)25)8-7-9-17(2)18-10-11-19-20(15-18)23(5,6)13-12-22(19,3)4/h7-11,14-15H,12-13H2,1-6H3,(H,24,25)/b8-7+,16-14+,17-9+ |
InChIKey | InChI | 1.03 | HGGVUZHIUHCATB-OOUGZNGESA-N |