4-(4'-{[(3-Hydroxy-3,4-Dihydro-2H-1,5-Benzodioxepin-3-Yl)Methyl]Sulfanyl}-4-Biphenylyl)-2,4-Dioxobutanoic Acid

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Properties Simple | Detailed

Formula C26H22O7S
IUPAC Name 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-dioxo-butanoate
Molecular Mass 478.514 g·mol−1
Heat of Formation -549.5 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 542.18 Å 3
Surface Area 485.96 Å 2
Point Group Symmetry C1
Synonyms
  • (1,1'-biphenyl)-4-butanoic acid, 4'-(((3,4-dihydro-3-hydroxy-2h-1,5-benzodioxepin-3-yl)methyl)thio)-alpha,gamma-dioxo-
  • 4'-(((3,4-dihydro-3-hydroxy-2h-1,5-benzodioxepin-3-yl)methyl)thio)-alpha,gamma-dioxo-(1,1'-biphenyl)-4-butanoic acid
  • 4-(4'-(((3,4-dihydro-3-hydroxy-2h-1,5-benzodioxepin-3-yl)methyl)thio)(1,1'-biphenyl)-4-yl)-2,4-dioxobutanoic acid
  • 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylsulfanyl]phenyl]phenyl]-2,4-dioxobutanoic acid
  • 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylthio]phenyl]phenyl]-2,4-diketo-butyric acid
  • 4-[4-[4-[(3-hydroxy-2,4-dihydro-1,5-benzodioxepin-3-yl)methylthio]phenyl]phenyl]-2,4-dioxobutanoic acid
  • 4-dhbmd
CAS Number(s)
  • 83085-97-6
InChIKey UEOJQYVDBAHYRQ-UHFFFAOYSA-N
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