Indigo carmine 3D structure

Indigo carmine (also called Indigotindisulfonate, Saxon blue) has the formula C16H10N2O8S2 and a molar mass of 422.4 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
C16H10N2O8S2
Molar mass
422.4 g/mol
PubChem CID
3705
Heavy atoms
28
Category
Dyes and pigments

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name2-(3-hydroxy-5-sulfo-1H-indol-2-yl)-3-oxoindole-5-sulfonic acid
SMILESC1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)O
PubChem CID3705
Other namesIndigotindisulfonate, Saxon blue, Blue X, 5,5'-Indigotindisulfonic acid, Indigo carmine acid

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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