2,2'-{[(2E)-1,4-Dioxo-2-Butene-1,4-Diyl]Bis(Oxy)}Bis(3,5-Dibromobenzoic Acid)

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Properties Simple | Detailed

Formula C18H8Br4O8
IUPAC Name 3,5-dibromo-2-[(e)-4-(2,4-dibromo-6-carboxy-phenoxy)-4-oxo-but-2-enoyl]oxy-benzoic acid
Molecular Mass 671.867 g·mol−1
Heat of Formation -1011.9 ± 16.7 kJ·mol−1
Dipole Moment 0.17 ± 1.08 D
Volume 504.52 Å 3
Surface Area 436.01 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butenedioic acid (e)-, bis(2,4-dibromo-6-carboxyphenyl) ester
  • 3,5-dibromo-2-[(e)-4-(2,4-dibromo-6-carboxy-phenoxy)-4-keto-but-2-enoyl]oxy-benzoic acid
  • 3,5-dibromo-2-[(e)-4-(2,4-dibromo-6-carboxy-phenoxy)-4-oxo-but-2-enoyl]oxy-benzoic acid
  • 3,5-dibromo-2-[(e)-4-(2,4-dibromo-6-carboxyphenoxy)-1,4-dioxobut-2-enoxy]benzoic acid
  • 3,5-dibromo-2-[(e)-4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
  • 3,5-dibromo-2-[4-(2,4-dibromo-6-carboxy-phenoxy)-4-keto-but-2-enoyl]oxy-benzoic acid
  • 3,5-dibromo-2-[4-(2,4-dibromo-6-carboxy-phenoxy)-4-oxo-but-2-enoyl]oxy-benzoic acid
  • 3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-1,4-dioxobut-2-enoxy]benzoic acid
  • 3,5-dibromo-2-[4-(2,4-dibromo-6-carboxyphenoxy)-4-oxobut-2-enoyl]oxybenzoic acid
  • 3,5-dibromosalicyl-bis-fumarate
  • bis(3,5-dibromosalicyl) fumarate
  • bis(3,5-dibromosalicyl)fumarate
CAS Number(s)
  • 71337-53-6
InChIKey INZBQWPDNWVYFR-OWOJBTEDSA-N
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Elements H C O Br