Y0V
Summary
| Name: | 2-hydroxy-3,5-diiodo-4-(1H-pyrrol-1-yl)benzoic acid |
| Formula: | C11 H7 I2 N O3 |
| Formal charge: | 0 |
| Formula weight: | 454.987 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 3,5-bis(iodanyl)-2-oxidanyl-4-pyrrol-1-yl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H7I2NO3/c12-7-5-6(11(16)17)10(15)8(13)9(7)14-3-1-2-4-14/h1-5,15H,(H,16,17) |
| InChIKey | InChI | 1.03 | YWYHXCFRZDCHOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(I)c(n2cccc2)c(I)c1O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(I)c(n2cccc2)c(I)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccn(c1)c2c(cc(c(c2I)O)C(=O)O)I |
