2,2'-(1,2-Ethanediyl)Bis{5-[(7-Nitro-2,1,3-Benzoxadiazol-4-Yl)Amino]Benzenesulfonic Acid}

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Properties Simple | Detailed

Formula C11H16N8O12S2++++
IUPAC Name dinitronium; 4,7-dimethylene-8-sulfonato-nona-2,5-diynedinitrile; oxadiaziridine-2,3-diium; sulfur trioxide
Molecular Mass 516.421 g·mol−1
Heat of Formation 2446.7 ± 16.7 kJ·mol−1
Dipole Moment 13.46 ± 1.08 D
Volume 552.73 Å 3
Surface Area 542.11 Å 2
HOMO Energy -5.99 ± 0.55 eV
LUMO Energy -5.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4,4'-bis(4-nitro-1,2,3-benzoxadiazolyl)dihydrostilbene-2,2'-disulfonate
  • 4,4'-bis(4-nitro-2,1,3-benzoxadiazolyl)dihydrostilbene-2,2'-disulfonate
  • 5-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-[2-[4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2-sulfophenyl]ethyl]benzenesulfonic acid
  • 5-[(7-nitrobenzofurazan-4-yl)amino]-2-[2-[4-[(7-nitrobenzofurazan-4-yl)amino]-2-sulfo-phenyl]ethyl]benzenesulfonic acid
  • benzenesulfonic acid, 2,2'-(1,2-ethanediyl)bis(5-((7-nitro-4-benzofurazanyl)amino)-
  • h2(nbd)2ds
CAS Number(s)
  • 78566-20-8
InChIKey ONNIQPVQESWUFS-UHFFFAOYSA-N
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