Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Brc3cc(C=2Oc1ccc(O)cc1C(=O)C=2C)cc(Br)c3O |
SMILES_CANONICAL | CACTVS | 3.341 | CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c(Br)c3 |
SMILES | CACTVS | 3.341 | CC1=C(Oc2ccc(O)cc2C1=O)c3cc(Br)c(O)c(Br)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(Oc2ccc(cc2C1=O)O)c3cc(c(c(c3)Br)O)Br |
InChI | InChI | 1.03 | InChI=1S/C16H10Br2O4/c1-7-14(20)10-6-9(19)2-3-13(10)22-16(7)8-4-11(17)15(21)12(18)5-8/h2-6,19,21H,1H3 |
InChIKey | InChI | 1.03 | GKDYOXMZSXVKPP-UHFFFAOYSA-N |