Allura red 3D structure

Allura red (also called Curry red, Red No. 40) has the formula C18H16N2O8S2 and a molar mass of 452.5 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
C18H16N2O8S2
Molar mass
452.5 g/mol
PubChem CID
33259
Heavy atoms
30
Category
Dyes and pigments

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
SMILESCC1=CC(=C(C=C1S(=O)(=O)O)OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O
PubChem CID33259
Other namesCurry red, Red No. 40, FD and C Red No. 40, FD & C Red no. 40, FD&C Red No. 40 parent

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.

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