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

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Properties Simple | Detailed

Formula C22H16N2O7S3
IUPAC Name n-[4-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]-3-sulfo-phenyl]benzamide
Molecular Mass 516.567 g·mol−1
Heat of Formation -721.6 ± 16.7 kJ·mol−1
Dipole Moment 7.83 ± 1.08 D
Volume 542.44 Å 3
Surface Area 471.92 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]-5-(phenylcarbonylamino)benzenesulfonic acid
  • 2-[(e)-2-(4-isothiocyanato-2-sulfophenyl)vinyl]-5-[(oxo-phenylmethyl)amino]benzenesulfonic acid
  • 4-benzamido-4'-isothiocyanostilbene-2,2'-disulfonate
  • 5-(benzoylamino)-2-[(e)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid
  • 5-(benzoylamino)-2-[(e)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid
  • benzenesulfonic acid, 5-(benzoylamino)-2-(2-(4-isothiocyanato-2-sulfophenyl)ethenyl)-
  • bids
CAS Number(s)
  • 78543-24-5
InChIKey QOTXRSSBQIHQPW-VOTSOKGWSA-N
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