2-(Carboxymethyl)-1-Oxo-1,2-Dihydronaphtho[1,2-D][1,2]Thiazole-4-Carboxylic Acid 3,3-Dioxide

Molecule SVG Image

Properties Simple | Detailed

Formula C14H9NO7S
IUPAC Name 2-(carboxymethyl)-1,3,3-trioxo-benzo[e][1,2]benzothiazole-4-carboxylic acid
Molecular Mass 335.289 g·mol−1
Heat of Formation -998.4 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 335.75 Å 3
Surface Area 293.74 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(carboxymethyl)-1,3,3-triketo-naphtho[4,3-d]isothiazole-4-carboxylic acid
  • 2-(carboxymethyl)-1,3,3-trioxo-4-naphtho[4,3-d]isothiazolecarboxylic acid
  • 2-(carboxymethyl)-1,3,3-trioxo-naphtho[4,3-d][1,2]thiazole-4-carboxylic acid
  • 2-(carboxymethyl)-1,3,3-trioxo-naphtho[4,3-d]isothiazole-4-carboxylic acid
  • 2-(carboxymethyl)-1,3,3-trioxonaphtho[4,3-d][1,2]thiazole-4-carboxylic acid
  • itb
InChIKey ZTJGXDGAXGWOGR-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N