Rhodamine B 3D structure

Rhodamine B (also called Rhodamine 610, Rhodamine B ion) has the formula C₂₈H₃₁N₂O₃+ and a molar mass of 443.6 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: C₂₈H₃₁N₂O₃+
Molar mass: 443.6 g/mol
PubChem CID: 6695
Heavy atoms: 33
Category: Dyes and pigments

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=CC=CC=C4C(=O)O`
PubChem CID	6695
Other names	Rhodamine 610, Rhodamine B ion, Rhodamine B cation, D and C Red 19

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 dyes and pigments

Browse all small molecules