4-(4-{4-[4-(Dibutylamino)Phenyl]-1,3-Butadien-1-Yl}-1-Pyridiniumyl)-1-Butanesulfonate

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Properties Simple | Detailed

Formula C27H38N2O3S
IUPAC Name 4-[4-[(1z,3z)-4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
Molecular Mass 470.667 g·mol−1
Heat of Formation -157.9 ± 16.7 kJ·mol−1
Dipole Moment 40.43 ± 1.08 D
Volume 607.64 Å 3
Surface Area 538.88 Å 2
HOMO Energy -7.73 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[(1e,3e)-4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]-1-pyridin-1-iumyl]butane-1-sulfonate
  • 4-[4-[(1e,3e)-4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
  • 4-[4-[4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]-1-pyridin-1-iumyl]butane-1-sulfonate
  • 4-[4-[4-[4-(dibutylamino)phenyl]buta-1,3-dienyl]pyridin-1-ium-1-yl]butane-1-sulfonate
  • pyridinium, 4-(4-(4-(dibutylamino)phenyl)-1,3-butadienyl)-1-(4-sulfobutyl)-, inner salt
  • rh 160
  • rh-160
CAS Number(s)
  • 83668-92-2
InChIKey AGTMTHJNRMNTDK-UHFFFAOYSA-N
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