Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc3cccc(Cl)c3OCc1ccc(cc1)COc2ccc(OC)cc2Cl |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1 |
SMILES | CACTVS | 3.341 | COc1ccc(OCc2ccc(COc3c(Cl)cccc3Cl)cc2)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(c(c1)Cl)OCc2ccc(cc2)COc3c(cccc3Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C21H17Cl3O3/c1-25-16-9-10-20(19(24)11-16)26-12-14-5-7-15(8-6-14)13-27-21-17(22)3-2-4-18(21)23/h2-11H,12-13H2,1H3 |
InChIKey | InChI | 1.03 | XXMDDBVNWRWNCW-UHFFFAOYSA-N |