R75
Summary
| Name: | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone |
| Synonyms: | Benzbromarone |
| Formula: | C17 H12 Br2 O3 |
| Formal charge: | 0 |
| Formula weight: | 424.083 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3,5-bis(bromanyl)-4-oxidanyl-phenyl]-(2-ethyl-1-benzofuran-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 |
| InChIKey | InChI | 1.03 | WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 |
| SMILES | CACTVS | 3.385 | CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br |
