Bromophenol blue 3D structure

Bromophenol blue (also called Albutest, Tetrabromphenol Blue) has the formula C19H10Br4O5S and a molar mass of 670.0 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
C19H10Br4O5S
Molar mass
670.0 g/mol
PubChem CID
8272
Heavy atoms
29
Category
Dyes and pigments

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
SMILESC1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br
PubChem CID8272
Other namesAlbutest, Tetrabromphenol Blue, 3,3',5,5'-Tetrabromophenolsulfonphthalein, 3',3'',5',5''-Tetrabromophenolsulfonephthalein, 3',3'',5',5''-Tetrabromophenolsulfophthalein

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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