V3Z
Summary
| Name: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate |
| Formula: | C10 H11 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 273.262 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3 |
| InChIKey | InChI | 1.03 | UGQZFYHKPPGOSW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)S(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O |
