Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C\1CC(C=CC/1=C(\C=C\C=2C(C)(CCCC=2C)C)C)=[C@H]C=O |
InChI | InChI | 1.03 | InChI=1S/C21H28O/c1-16(19-10-8-18(9-11-19)13-15-22)7-12-20-17(2)6-5-14-21(20,3)4/h7-8,10,12-13,15H,5-6,9,11,14H2,1-4H3/b12-7+,18-13-,19-16- |
InChIKey | InChI | 1.03 | QLEXUFWJSPRFOP-LCYNHIKNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1=C(\C=C\C(C)=C2/CCC(=C\C=O)/C=C2)C(C)(C)CCC1 |
SMILES | CACTVS | 3.385 | CC1=C(C=CC(C)=C2CCC(=CC=O)C=C2)C(C)(C)CCC1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=C(C(CCC1)(C)C)/C=C/C(=C/2\CC/C(=C\C=O)/C=C2)/C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1=C(C(CCC1)(C)C)C=CC(=C2CCC(=CC=O)C=C2)C |