4-Benzoyl-3-Sulfamoyl-5-(3-Thienylmethoxy)Benzoic Acid

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Properties Simple | Detailed

Formula C19H15NO6S2
IUPAC Name 4-benzoyl-3-sulfamoyl-5-(3-thienylmethoxy)benzoic acid
Molecular Mass 417.456 g·mol−1
Heat of Formation -667.7 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 451.22 Å 3
Surface Area 348.83 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(aminosulfonyl)-4-benzoyl-5-(3-thienylmethoxy)benzoic acid
  • 4-(benzoyl)-3-sulfamoyl-5-(3-thienylmethoxy)benzoic acid
  • 4-(benzoyl)-3-sulfamoyl-5-(thiophen-3-ylmethoxy)benzoic acid
  • 4-(oxo-phenylmethyl)-3-sulfamoyl-5-(3-thienylmethoxy)benzoic acid
  • 4-benzoyl-5-sulfamoyl-3-(3-thenyloxy)benzoic acid
  • 4-phenylcarbonyl-3-sulfamoyl-5-(thiophen-3-ylmethoxy)benzoic acid
  • benzoic acid, 3-(aminosulfonyl)-4-benzoyl-5-(3-thienylmethoxy)-
  • bstba
CAS Number(s)
  • 54591-38-7
InChIKey QYUPPINXPFCSIM-UHFFFAOYSA-N
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