CSN
Summary
| Name: | N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM |
| Formula: | C6 H5 N O7 S |
| Formal charge: | 0 |
| Formula weight: | 235.171 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-hydroxy-5-nitrophenyl hydrogen sulfate |
| OpenEye OEToolkits | 1.5.0 | (2-hydroxy-5-nitro-phenyl) hydrogen sulfate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(Oc1cc(ccc1O)[N+]([O-])=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1ccc(cc1O[S](O)(=O)=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Oc1ccc(cc1O[S](O)(=O)=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])OS(=O)(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13) |
| InChIKey | InChI | 1.03 | XMCCOOONGGUOLA-UHFFFAOYSA-N |
