DNX
Summary
| Name: | 3,4-dinitrophenol |
| Formula: | C6 H4 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 184.106 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-dinitrophenol |
| OpenEye OEToolkits | 1.7.6 | 3,4-dinitrophenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=[N+]([O-])c1c(ccc(O)c1)[N+]([O-])=O |
| InChI | InChI | 1.03 | InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H |
| InChIKey | InChI | 1.03 | AKLOLDQYWQAREW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-] |
