Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1c(c(c(O)c(c1O)C\C=C(/C)CC\C=C(/C)C)C=O)C |
InChI | InChI | 1.03 | InChI=1S/C18H23ClO3/c1-11(2)6-5-7-12(3)8-9-14-17(21)15(10-20)13(4)16(19)18(14)22/h6,8,10,21-22H,5,7,9H2,1-4H3/b12-8+ |
InChIKey | InChI | 1.03 | UEUMAXMCCDEOIJ-XYOKQWHBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)=CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O |
SMILES | CACTVS | 3.370 | CC(C)=CCCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CCC=C(C)C)O)C=O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)C)O)C=O |