UHZ
Summary
| Name: | (5-methanoyl-2-nitro-phenyl) methanesulfonate |
| Formula: | C8 H7 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 245.209 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5-methanoyl-2-nitro-phenyl) methanesulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7NO6S/c1-16(13,14)15-8-4-6(5-10)2-3-7(8)9(11)12/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | RCBIWLRDSYSENV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O |
