5,5'-[3-(2-Pyridinyl)-1,2,4-Triazine-5,6-Diyl]Di(2-Furansulfonic Acid)

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Formula C16H10N4O8S2
IUPAC Name 5-[3-(2-pyridyl)-6-(5-sulfo-2-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonic acid
Molecular Mass 450.403 g·mol−1
Heat of Formation -602.1 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 437.1 Å 3
Surface Area 375.27 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-furansulfonic acid, 5,5'-[3-(2-pyridinyl)-1,2,4-triazine-5,6-diyl]bis-
  • 5-[3-(2-pyridyl)-6-(5-sulfo-2-furyl)-1,2,4-triazin-5-yl]-2-furansulfonic acid
  • 5-[3-pyridin-2-yl-6-(5-sulfofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonic acid
  • 79551-14-7(sodium salt)
InChIKey JADQARCBSBASKV-UHFFFAOYSA-N
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