2,2'-{[(2E)-1,4-Dioxo-2-Butene-1,4-Diyl]Bis(Oxy)}Bis(3,4-Dibromobenzoic Acid)

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Properties Simple | Detailed

Formula C18H8Br4O8
IUPAC Name 3,4-dibromo-2-[(e)-4-(2,3-dibromo-6-carboxy-phenoxy)-4-oxo-but-2-enoyl]oxy-benzoic acid
Molecular Mass 671.867 g·mol−1
Heat of Formation -1009.6 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 493.66 Å 3
Surface Area 430.11 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C2
Synonyms
  • 2,3-fumaryl-diaspirin
  • 3,4-dibromo-2-[(e)-4-(2,3-dibromo-6-carboxy-phenoxy)-4-keto-but-2-enoyl]oxy-benzoic acid
  • 3,4-dibromo-2-[(e)-4-(2,3-dibromo-6-carboxy-phenoxy)-4-oxo-but-2-enoyl]oxy-benzoic acid
  • 3,4-dibromo-2-[(e)-4-(2,3-dibromo-6-carboxyphenoxy)-1,4-dioxobut-2-enoxy]benzoic acid
  • 3,4-dibromo-2-[(e)-4-(2,3-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
  • bis(2,3-dibromosalicyl)fumarate
CAS Number(s)
  • 106044-07-9
InChIKey PTADHGRSLBSSSY-AATRIKPKSA-N
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Elements H C O Br