KV0
Summary
| Name: | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid |
| Formula: | C11 H6 F I2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 472.978 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H6FI2NO3/c12-5-1-2-15(4-5)9-7(13)3-6(11(17)18)10(16)8(9)14/h1-4,16H,(H,17,18) |
| InChIKey | InChI | 1.06 | TWCNCDUFQCXOKF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(I)c(n2ccc(F)c2)c(I)c1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(I)c(n2ccc(F)c2)c(I)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cn(cc1F)c2c(cc(c(c2I)O)C(=O)O)I |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cn(cc1F)c2c(cc(c(c2I)O)C(=O)O)I |
