2-[(E)-(3-Chloro-4-Hydroxyphenyl)(3-Chloro-4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]Benzenesulfonic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C19H12Cl2O5S
IUPAC Name 2-[(e)-(3-chloro-4-hydroxy-phenyl)-(3-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Molecular Mass 423.267 g·mol−1
Heat of Formation -551.4 ± 16.7 kJ·mol−1
Dipole Moment 8.39 ± 1.08 D
Volume 428.76 Å 3
Surface Area 361.38 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(3-chloro-4-hydroxy-phenyl)-(3-chloro-4-keto-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
  • 2-[(3-chloro-4-hydroxy-phenyl)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
  • 2-[(3-chloro-4-hydroxyphenyl)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
  • 2-[(e)-(3-chloro-4-hydroxy-phenyl)-(3-chloro-4-keto-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
  • 2-[(e)-(3-chloro-4-hydroxy-phenyl)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
  • 2-[(e)-(3-chloro-4-hydroxyphenyl)-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
InChIKey QXTPRQZMDKBTAI-XDHOZWIPSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O Cl