5,5'-{[2-(Sulfooxy)-1,3-Propanediyl]Bis(Oxy)}Bis(4-Oxo-4H-Chromene-2-Carboxylic Acid)

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Properties Simple | Detailed

Formula C23H18O14S++
IUPAC Name carbon dioxide; [(1s)-1-[(4-oxo-3h-chromen-1-ium-3-id-5-yl)oxymethyl]-2-[(4-oxo-3,7-dihydrochromen-1-ium-3,7-diid-5-yl)oxy]ethyl] sulfate
Molecular Mass 550.446 g·mol−1
Heat of Formation -500.9 ± 16.7 kJ·mol−1
Dipole Moment 20.59 ± 1.08 D
Volume 524.87 Å 3
Surface Area 411.04 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -4.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-1-benzopyran-2-carboxylic acid, 5,5'-((2-(sulfooxy)-1,3-propanediyl)bis(oxy))bis(4-oxo-
  • 5-[3-(2-carboxy-4-keto-chromen-5-yl)oxy-2-sulfoxy-propoxy]-4-keto-chromene-2-carboxylic acid
  • 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-sulfooxypropoxy]-4-oxochromene-2-carboxylic acid
  • 5-[3-[(2-carboxy-4-oxo-5-chromenyl)oxy]-2-sulfooxypropoxy]-4-oxo-2-chromenecarboxylic acid
  • cromolyn sulfate
CAS Number(s)
  • 107032-81-5
InChIKey KOMKRTNQZYEQST-UHFFFAOYSA-N
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