5-Amino-2-{(E)-2-[4-(Benzoylamino)-2-Sulfophenyl]Vinyl}Benzenesulfonic Acid

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Properties Simple | Detailed

Formula C21H18N2O7S2
IUPAC Name 5-amino-2-[(e)-2-(4-benzamido-2-sulfo-phenyl)vinyl]benzenesulfonic acid
Molecular Mass 474.507 g·mol−1
Heat of Formation -889.5 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 500.75 Å 3
Surface Area 434.39 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy 2.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(e)-2-(4-amino-2-sulfo-phenyl)ethenyl]-5-(phenylcarbonylamino)benzenesulfonic acid
  • 2-[(e)-2-(4-amino-2-sulfo-phenyl)vinyl]-5-(benzoylamino)benzenesulfonic acid
  • 2-[(e)-2-(4-amino-2-sulfophenyl)ethenyl]-5-(benzoylamino)benzenesulfonic acid
  • 2-[(e)-2-(4-amino-2-sulfophenyl)vinyl]-5-[(oxo-phenylmethyl)amino]benzenesulfonic acid
  • 4-benzamido-4'-aminostilbene-2,2'-disulfonate
  • bads
  • benzenesulfonic acid, 5-amino-2-(2-(5-(benzoylamino)-2-sulfophenyl)ethenyl)-
  • benzoylamido-4'-aminostilbene-2,2'-disulfonate
CAS Number(s)
  • 25431-18-9
InChIKey AFHIIJICYLMCSH-VOTSOKGWSA-N
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