4NS
Summary
| Name: | 4-nitrophenyl sulfate |
| Synonyms: | 4-nitrophenyl hydrogen sulfate |
| Formula: | C6 H5 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 219.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-nitrophenyl hydrogen sulfate |
| OpenEye OEToolkits | 1.5.0 | (4-nitrophenyl) hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1ccc(cc1)[N+]([O-])=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[S](=O)(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | O[S](=O)(=O)Oc1ccc(cc1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[N+](=O)[O-])OS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO6S/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H,10,11,12) |
| InChIKey | InChI | 1.03 | JBGHTSSFSSUKLR-UHFFFAOYSA-N |
