Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc2cc1ncn(c1cc2Cl)C3OC(C(O)C3O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3cc(Cl)c(Cl)cc23 |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(Cl)c(Cl)cc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(cc(c1Cl)Cl)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(cc(c1Cl)Cl)n(cn2)C3C(C(C(O3)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10-,11-,12-/m1/s1 |
InChIKey | InChI | 1.03 | XHSQDZXAVJRBMX-DDHJBXDOSA-N |