Trinitrotoluene (also called Trotyl, Tolite) has the formula C7H5N3O6 and a molar mass of 227.13 g/mol. The model above is PubChem's computed 3D conformer: drag to rotate, scroll to zoom, and use the measurement tools to read bond lengths and angles.
Explore in 3D Space-filling model PubChem
| IUPAC name | 2-methyl-1,3,5-trinitrobenzene |
|---|---|
| SMILES | CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| PubChem CID | 8376 |
| Other names | Trotyl, Tolite, s-Trinitrotoluol, s-Trinitrotoluene, 2-Methyl-1,3,5-trinitrobenzene |
Atoms use the standard CPK colors: carbon gray, hydrogen white, oxygen red, nitrogen blue, sulfur yellow. Switch to Spacefill to see the molecule's overall shape and size, or Stick for a clear view of the bonds. Click two atoms in distance mode to measure a bond length in ångströms.
3D coordinates are PubChem's computed conformer, one low-energy shape of the molecule. Flexible molecules can take many other shapes.