Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COC(=O)C(C)=[C@H]CCC(=[C@H]Cc1c(c(C=O)c(C)c(Cl)c1O)O)C |
InChI | InChI | 1.03 | InChI=1S/C19H23ClO5/c1-11(6-5-7-12(2)19(24)25-4)8-9-14-17(22)15(10-21)13(3)16(20)18(14)23/h7-8,10,22-23H,5-6,9H2,1-4H3/b11-8+,12-7+ |
InChIKey | InChI | 1.03 | MGCXWBJRVAUHQF-NFLJZBCPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)/C(C)=C/CC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O |
SMILES | CACTVS | 3.385 | COC(=O)C(C)=CCCC(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(\C)/C(=O)OC)O)C=O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c(c(c(c1Cl)O)CC=C(C)CCC=C(C)C(=O)OC)O)C=O |