5-Acetamido-2-[(E)-2-(4-Isothiocyanato-2-Sulfophenyl)Vinyl]Benzenesulfonic Acid

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Properties Simple | Detailed

Formula C17H14N2O7S3
IUPAC Name 5-acetamido-2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
Molecular Mass 454.497 g·mol−1
Heat of Formation -870.3 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 465.66 Å 3
Surface Area 396.87 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 27816-59-7 (free acid)
  • 4-acetamido-4'-isothiocyanatostilbene-2,2'-disulfonic acid
  • 4-acetamido-4'-isothiocyanostilbene-2,2'-disulfonic acid
  • 4-acetamido-4'-isothiocyanostilbene-2,2'-disulphonic acid
  • 4-isothiocyanato-4'-acetylamino-stilbine-2,2'-disulfonic acid
  • 5-acetamido-2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
  • 5-acetamido-2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
  • 5-acetamido-2-[(e)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
  • 5-acetamido-2-[2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
  • 5-acetamido-2-[2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
  • 5-acetamido-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
  • 5-acetamido-2-[2-(4-isothiocyanato-2-sulfophenyl)vinyl]benzenesulfonic acid
  • 51023-76-8 (disodium salt, hydrate)
  • benzenesulfonic acid, 5-(acetylamino)-2-(2-(4-isothiocyanato-2-sulfophenyl)ethenyl)-
  • benzenesulfonic acid, 5-(acetylamino)-2-[2-(4-isothiocyanato-2-sulfophenyl)ethenyl]-
  • iads
CAS Number(s)
  • 27816-59-7
InChIKey YJCCSLGGODRWKK-NSCUHMNNSA-N
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