WGH
Summary
| Name: | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone |
| Formula: | C17 H11 I3 O3 |
| Formal charge: | 0 |
| Formula weight: | 643.981 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-ethyl-4-iodanyl-1-benzofuran-3-yl)methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H11I3O3/c1-2-12-15(14-9(18)4-3-5-13(14)23-12)16(21)8-6-10(19)17(22)11(20)7-8/h3-7,22H,2H2,1H3 |
| InChIKey | InChI | 1.06 | CIPAOTDUDSOTHT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3 |
| SMILES | CACTVS | 3.385 | CCc1oc2cccc(I)c2c1C(=O)c3cc(I)c(O)c(I)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c2c(o1)cccc2I)C(=O)c3cc(c(c(c3)I)O)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c2c(o1)cccc2I)C(=O)c3cc(c(c(c3)I)O)I |
