98T
Summary
| Name: | methyl 3-iodanyl-4-oxidanyl-benzoate |
| Formula: | C8 H7 I O3 |
| Formal charge: | 0 |
| Formula weight: | 278.044 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl 3-iodanyl-4-oxidanyl-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3 |
| InChIKey | InChI | 1.03 | PXNOLLHARLSLHY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccc(O)c(I)c1 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccc(O)c(I)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(c(c1)I)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)c1ccc(c(c1)I)O |
