Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1c(c(c(O)cc1O)C(=O)OC)CCC(=O)Nc2cc(O)c(OC)cc2O |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc2cc(O)c(OC)cc2O |
SMILES | CACTVS | 3.341 | COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc2cc(O)c(OC)cc2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(c(cc1O)NC(=O)CCc2c(c(cc(c2Cl)O)O)C(=O)OC)O |
InChI | InChI | 1.03 | InChI=1S/C18H18ClNO8/c1-27-14-7-10(21)9(5-11(14)22)20-15(25)4-3-8-16(18(26)28-2)12(23)6-13(24)17(8)19/h5-7,21-24H,3-4H2,1-2H3,(H,20,25) |
InChIKey | InChI | 1.03 | GUVWEHNRWHNDRF-UHFFFAOYSA-N |