N-Ethyl-5-Phenylisoxazolium-3'-Sulfonate

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Properties Simple | Detailed

Formula C11H11NO4S
IUPAC Name 3-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate
Molecular Mass 253.274 g·mol−1
Heat of Formation -131.0 ± 16.7 kJ·mol−1
Dipole Moment 24.54 ± 1.08 D
Volume 275.05 Å 3
Surface Area 260.47 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -3.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-ethyl-5-(3-sulfophenyl)isoxazolium, hydroxide, inn er salt
  • 2-ethyl-5-phenylisoxazolium-3'-sulfonate
  • 2-ethyl-5-phenylisoxazolium-3'-sulphonate
  • 3-(2-ethyl-1,2-oxazol-2-ium-5-yl)benzenesulfonate
  • 3-(2-ethyl-5-isoxazol-2-iumyl)benzenesulfonate
  • 3-(2-ethylisoxazol-2-ium-5-yl)benzenesulfonate
  • isoxazolium, 2-ethyl-5-(3-sulfophenyl)-, hydroxide, inner salt (9ci)
  • isoxazolium, 2-ethyl-5-(m-sulfophenyl)-, hydroxide, inner salt (8ci)
  • nepis
  • woodwards reagent k
InChIKey MWOOKDULMBMMPN-UHFFFAOYSA-N
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