3-[(E)-2-(2-{6-[(E)-2-(3,4-Dihydroxyphenyl)Vinyl]-4-Hydroxy-2-Oxo-2H-Pyran-3-Yl}-4,5-Dihydroxyphenyl)Vinyl]-8,9-Dihydroxy-1H,6H-Pyrano[4,3-C]Isochromene-1,6-Dione

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Formula C33H20O13
IUPAC Name 4-[6-[2-(3,4-dioxocyclohexa-1,5-dien-1-yl)ethynyl]-2,4-dioxo-pyran-3,6-diid-3-yl]-6-oxo-3-[(e)-2-(1,6,8,9-tetraoxo-4h-pyrano[4,3-c]isochromene-3,4,4a,10b-tetraid-3-yl)vinyl]hex-5-en-1-yn-1-olate
Molecular Mass 624.504 g·mol−1
Heat of Formation -1668.8 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 662.86 Å 3
Surface Area 497.31 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey ZNLSHKJBXWCRKW-CLLRDSTBSA-N
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