Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C(=C(\C=C\C(=C\C=C\C(=C\CO)C)C)C(C)(C)CC1)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(=C\CO)/C=C/C=C(C)/C=C/C1=C(C)C(=O)CCC1(C)C |
SMILES | CACTVS | 3.341 | CC(=CCO)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(C(CCC1=O)(C)C)\C=C\C(=C\C=C\C(=C\CO)\C)\C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CCO)C)C |
InChI | InChI | 1.03 | InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+ |
InChIKey | InChI | 1.03 | PLIUCYCUYQIBDZ-RMWYGNQTSA-N |