9GZ
Summary
| Name: | 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid |
| Formula: | C17 H11 F I N O3 |
| Formal charge: | 0 |
| Formula weight: | 423.177 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 5-(4-fluorophenyl)-3-iodanyl-2-oxidanyl-4-pyrrol-1-yl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H11FINO3/c18-11-5-3-10(4-6-11)12-9-13(17(22)23)16(21)14(19)15(12)20-7-1-2-8-20/h1-9,21H,(H,22,23) |
| InChIKey | InChI | 1.03 | PZAQSVDHGPHHRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(c2ccc(F)cc2)c(n3cccc3)c(I)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)c3ccc(cc3)F |
