5,5'-{Methylenebis[Sulfonyl(E)-2,1-Ethenediyl]}Di(1,2,3-Benzenetriol)

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Formula C17H16O10S2
IUPAC Name 5-[(e)-2-[[(e)-2-(3,4,5-trihydroxyphenyl)vinyl]sulfonylmethylsulfonyl]vinyl]benzene-1,2,3-triol
Molecular Mass 444.433 g·mol−1
Heat of Formation -1468.5 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 452.46 Å 3
Surface Area 348.48 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3-benzenetriol, 5,5'-[methylenebis[sulfonyl(e)-2,1-ethenediyl]]bis-
  • 5-[(e)-2-[[(e)-2-(3,4,5-trihydroxyphenyl)ethenyl]sulfonylmethylsulfonyl]ethenyl]benzene-1,2,3-triol
  • 5-[(e)-2-[[(e)-2-(3,4,5-trihydroxyphenyl)vinyl]sulfonylmethylsulfonyl]vinyl]benzene-1,2,3-triol
  • 5-[(e)-2-[[(e)-2-(3,4,5-trihydroxyphenyl)vinyl]sulfonylmethylsulfonyl]vinyl]pyrogallol
InChIKey XNXJTMYPDIHLNJ-ZPUQHVIOSA-N
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