Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)C(=O)OC[C@H]=C(C)CC\C(=C\Cc1c(c(C=O)c(C)c(Cl)c1O)O)C |
InChI | InChI | 1.03 | InChI=1S/C22H29ClO5/c1-13(2)22(27)28-11-10-15(4)7-6-14(3)8-9-17-20(25)18(12-24)16(5)19(23)21(17)26/h8,10,12-13,25-26H,6-7,9,11H2,1-5H3/b14-8+,15-10+ |
InChIKey | InChI | 1.03 | CDSDGHDLPGSGAB-UYSZGSBFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C(=O)OC\C=C(/C)CC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O |
SMILES | CACTVS | 3.385 | CC(C)C(=O)OCC=C(C)CCC(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c(c(c(c1Cl)O)C/C=C(\C)/CC/C(=C/COC(=O)C(C)C)/C)O)C=O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC(=CCOC(=O)C(C)C)C)O)C=O |