BQB
Summary
| Name: | 5-(4-nitrophenylazo)-3-iodosalicylic acid |
| Formula: | C13 H8 I N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 413.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-iodanyl-5-[(~{E})-(4-nitrophenyl)diazenyl]-2-oxidanyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H8IN3O5/c14-11-6-8(5-10(12(11)18)13(19)20)16-15-7-1-3-9(4-2-7)17(21)22/h1-6,18H,(H,19,20)/b16-15+ |
| InChIKey | InChI | 1.03 | GBJFASRAKIVVBQ-FOCLMDBBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1N=Nc2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-] |
