3-{[(3-{4-[(Methylsulfonyl)Amino]Phenyl}-4-Oxo-4H-Chromen-7-Yl)Oxy]Methyl}Benzoic Acid

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Properties Simple | Detailed

Formula C24H20NO7S+
IUPAC Name 3-[[3-[4-(methanesulfonamido)phenyl]-4-oxo-chromen-7-yl]oxymethyl]benzoic acid
Molecular Mass 466.483 g·mol−1
Heat of Formation -826.8 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 501.93 Å 3
Surface Area 451.49 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[[3-(4-methanesulfonamidophenyl)-4-oxo-7-chromenyl]oxymethyl]benzoic acid
  • 3-[[3-(4-methanesulfonamidophenyl)-4-oxo-chromen-7-yl]oxymethyl]benzoic acid
  • 3-[[3-[4-(methylsulfonylamino)phenyl]-4-oxo-chromen-7-yl]oxymethyl]benzoic acid
  • 3-[[4-keto-3-(4-methanesulfonamidophenyl)chromen-7-yl]oxymethyl]benzoic acid
InChIKey YYOOFJZTRCPVFD-UHFFFAOYSA-N
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