PKQ
Summary
| Name: | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone |
| Formula: | C17 H12 Br2 O4 |
| Formal charge: | 0 |
| Formula weight: | 440.083 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-6-oxidanyl-1-benzofuran-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H12Br2O4/c1-2-13-15(10-4-3-9(20)7-14(10)23-13)16(21)8-5-11(18)17(22)12(19)6-8/h3-7,20,22H,2H2,1H3 |
| InChIKey | InChI | 1.06 | FEXBXMFVRKZOOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 |
| SMILES | CACTVS | 3.385 | CCc1oc2cc(O)ccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)Br)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c2ccc(cc2o1)O)C(=O)c3cc(c(c(c3)Br)O)Br |
