4-(4-{[3-(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Propyl]Sulfonyl}Phenyl)-4-Oxobutanoic Acid

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Properties Simple | Detailed

Formula C24H28O8S
IUPAC Name 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxo-butanoic acid
Molecular Mass 476.539 g·mol−1
Heat of Formation -1353.9 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 560.35 Å 3
Surface Area 450.05 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 4-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)sulfonyl)-gamma-oxobenzenebutanoic acid
  • 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-keto-butyric acid
  • 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfonyl]phenyl]-4-oxobutanoic acid
  • 4-[4-[3-(4-ethanoyl-3-hydroxy-2-propyl-phenoxy)propylsulfonyl]phenyl]-4-oxo-butanoic acid
  • 4-apsob
  • benzenebutanoic acid, 4-((3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl)sulfonyl)-gamma-oxo-
  • l 648051
  • l-648051
CAS Number(s)
  • 91541-18-3
InChIKey ZAKKEARLDPTRLX-UHFFFAOYSA-N
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