Dioxin 3D structure

Dioxin (also called TCDD, Tetradioxin) has the formula C12H4Cl4O2 and a molar mass of 322.0 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.

Formula
C12H4Cl4O2
Molar mass
322.0 g/mol
PubChem CID
15625
Heavy atoms
18
Category
Toxins and poisons

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name2,3,7,8-tetrachlorodibenzo-p-dioxin
SMILESC1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl
PubChem CID15625
Other namesTCDD, Tetradioxin, Dioxine, TCDBD, 2,3,7,8-Tetrachlorooxanthrene

How to read the 3D model

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.

More toxins and poisons

Browse all small molecules