Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(cc(c(cc1)\C=C\c2ccc(cc2Cl)B(O)O)Cl)B(O)O |
InChI | InChI | 1.03 | InChI=1S/C14H12B2Cl2O4/c17-13-7-11(15(19)20)5-3-9(13)1-2-10-4-6-12(16(21)22)8-14(10)18/h1-8,19-22H/b2-1+ |
InChIKey | InChI | 1.03 | HTUPKLSVPPCVMY-OWOJBTEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccc(/C=C/c2ccc(cc2Cl)B(O)O)c(Cl)c1 |
SMILES | CACTVS | 3.385 | OB(O)c1ccc(C=Cc2ccc(cc2Cl)B(O)O)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Cl)/C=C/c2ccc(cc2Cl)B(O)O)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(c(c1)Cl)C=Cc2ccc(cc2Cl)B(O)O)(O)O |