5-Acetamido-2-{(E)-2-[4-(2,5-Dioxo-2,5-Dihydro-1H-Pyrrol-1-Yl)-2-Sulfophenyl]Vinyl}Benzenesulfonic Acid

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Properties Simple | Detailed

Formula C20H16N2O9S2
IUPAC Name 1-[4-[2-(4-isocyanato-2-sulfonato-phenyl)ethynyl]-3-sulfonato-phenyl]pyrrole-2,5-dione
Molecular Mass 492.479 g·mol−1
Heat of Formation -1212.8 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 505.57 Å 3
Surface Area 434.08 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(e)-2-(4-acetamido-2-sulfo-phenyl)ethenyl]-5-(2,5-dioxopyrrol-1-yl)benzenesulfonic acid
  • 2-[(e)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-(2,5-dioxopyrrol-1-yl)benzenesulfonic acid
  • 2-[(e)-2-(4-acetamido-2-sulfo-phenyl)vinyl]-5-maleimido-benzenesulfonic acid
  • 2-[(e)-2-(4-acetamido-2-sulfophenyl)vinyl]-5-(2,5-dioxo-1-pyrrolyl)benzenesulfonic acid
  • 4-acetamido-4'-maleimidylstilbene-2,2'-disulfonic acid
  • amids-stilbene
  • benzenesulfonic acid, 5-(acetylamino)-2-(2-(4-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)-2-sulfophenyl)ethenyl)-
CAS Number(s)
  • 118121-38-3
InChIKey VVMKDNFTYDHDJS-NSCUHMNNSA-N
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