6J1
Summary
| Name: | 2,6-Dinitro-p-cresol |
| Formula: | C7 H6 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 198.133 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-methyl-2,6-dinitro-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3 |
| InChIKey | InChI | 1.03 | HOYRZHJJAHRMLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | Cc1cc(c(O)c(c1)[N+]([O-])=O)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.5 | Cc1cc(c(c(c1)[N+](=O)[O-])O)[N+](=O)[O-] |
