Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H10Cl2O5/c16-8-1-6(2-9(17)15(8)21)12-5-11(20)14-10(19)3-7(18)4-13(14)22-12/h1-4,12,18-19,21H,5H2/t12-/m1/s1 |
InChIKey | InChI | 1.03 | QMQREYZMFZIOBC-GFCCVEGCSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C[C@@H](Oc2c1)c3cc(Cl)c(O)c(Cl)c3 |
SMILES | CACTVS | 3.385 | Oc1cc(O)c2C(=O)C[CH](Oc2c1)c3cc(Cl)c(O)c(Cl)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Cl)O)Cl)[C@H]2CC(=O)c3c(cc(cc3O2)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1Cl)O)Cl)C2CC(=O)c3c(cc(cc3O2)O)O |