{4-[(Carboxymethoxy)Carbonyl]-3,3-Dioxido-1-Oxonaphtho[1,2-D][1,2]Thiazol-2(1H)-Yl}Acetic Acid

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Formula C16H11NO9S
IUPAC Name 2-[4-(carboxymethoxycarbonyl)-1,3,3-trioxo-benzo[e][1,2]benzothiazol-2-yl]acetic acid
Molecular Mass 393.325 g·mol−1
Heat of Formation -1338.6 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 395.83 Å 3
Surface Area 346.72 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-(carboxymethyloxy-oxomethyl)-1,3,3-trioxo-2-naphtho[1,2-d]isothiazolyl]acetic acid
  • 2-[4-(carboxymethyloxycarbonyl)-1,3,3-triketo-naphtho[1,2-d]isothiazol-2-yl]acetic acid
  • 2-[4-(carboxymethyloxycarbonyl)-1,3,3-trioxo-naphtho[1,2-d][1,2]thiazol-2-yl]ethanoic acid
  • 2-[4-(carboxymethyloxycarbonyl)-1,3,3-trioxo-naphtho[1,2-d]isothiazol-2-yl]acetic acid
  • 2-[4-(carboxymethyloxycarbonyl)-1,3,3-trioxonaphtho[1,2-d][1,2]thiazol-2-yl]acetic acid
InChIKey IXLBOIRSEDMRPI-UHFFFAOYSA-N
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