Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc1cc(c(O)c(Br)c1O)\C=C3/Oc2cc(O)cc(O)c2C3=O |
SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(O)c2C(=O)\C(Oc2c1)=C\c3cc(Br)c(O)c(Br)c3O |
SMILES | CACTVS | 3.341 | Oc1cc(O)c2C(=O)C(Oc2c1)=Cc3cc(Br)c(O)c(Br)c3O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O |
InChI | InChI | 1.03 | InChI=1S/C15H8Br2O6/c16-7-1-5(13(20)12(17)14(7)21)2-10-15(22)11-8(19)3-6(18)4-9(11)23-10/h1-4,18-21H/b10-2- |
InChIKey | InChI | 1.03 | BRPKBUNFOZFULQ-SGAXSIHGSA-N |