Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(B(O)O)cc(c(cc1)[C@H]=[C@H]c2cc(cc(c2)O)O)Cl |
InChI | InChI | 1.03 | InChI=1S/C14H12BClO4/c16-14-7-11(15(19)20)4-3-10(14)2-1-9-5-12(17)8-13(18)6-9/h1-8,17-20H/b2-1+ |
InChIKey | InChI | 1.03 | KRQCUYXETWACBK-OWOJBTEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccc(/C=C/c2cc(O)cc(O)c2)c(Cl)c1 |
SMILES | CACTVS | 3.385 | OB(O)c1ccc(C=Cc2cc(O)cc(O)c2)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Cl)/C=C/c2cc(cc(c2)O)O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Cl)C=Cc2cc(cc(c2)O)O)(O)O |