(1E)-2-Diazonio-3,3,3-Trifluoro-1-{[(2E,6E)-8-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}-2,6-Dimethyl-2,6-Octadien-1-Yl]Oxy}-1-Propen-1-Olate

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Properties Simple | Detailed

Formula C13H19F3N2O9P2
IUPAC Name λ1-azanyl-[2,2,2-trifluoro-1-[(2e,6e)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethyl-octa-2,6-dienoxy]carbonyl-ethyl]azanide
Molecular Mass 466.241 g·mol−1
Heat of Formation -2661.4 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 497.51 Å 3
Surface Area 376.57 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey PXULTBXGKTVWSP-VKJZGPBJSA-N
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