Crocetin 3D structure

Crocetin (also called Transcrocetin, 8,8'-Diapocarotenedioic acid) has the formula C₂₀H₂₄O₄ and a molar mass of 328.4 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: C₂₀H₂₄O₄
Molar mass: 328.4 g/mol
PubChem CID: 5281232
Heavy atoms: 24
Category: Dyes and pigments

Explore in 3D Space-filling model PubChem

Identifiers

IUPAC name	(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
SMILES	`C/C(=C\C=C\C=C(\C=C\C=C(\C(=O)O)/C)/C)/C=C/C=C(/C(=O)O)\C`
PubChem CID	5281232
Other names	Transcrocetin, 8,8'-Diapocarotenedioic acid, Transcrocetinic acid, transcrocetina, transcrocetine

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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