DNC
Summary
| Name: | 3,5-DINITROCATECHOL |
| Formula: | C6 H4 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 200.106 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3,5-dinitrobenzene-1,2-diol |
| OpenEye OEToolkits | 1.5.0 | 3,5-dinitrobenzene-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [O-][N+](=O)c1cc([N+]([O-])=O)cc(O)c1O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | Oc1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c(c1[N+](=O)[O-])O)O)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C6H4N2O6/c9-5-2-3(7(11)12)1-4(6(5)10)8(13)14/h1-2,9-10H |
| InChIKey | InChI | 1.03 | VDCDWNDTNSWDFJ-UHFFFAOYSA-N |
