(2E)-2,3-Bis[(5,6-Dibromo-6-Hydroxy-2,4-Cyclohexadien-1-Yl)Methyl]-2-Butenedioate

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Properties Simple | Detailed

Formula C18H14Br4O6
IUPAC Name carbon dioxide; (1s,6s)-1,2-dibromo-6-[4-[(1r,6r)-5,6-dibromo-6-hydroxy-cyclohexa-2,4-dien-1-yl]but-2-ynyl]cyclohexa-2,4-dien-1-ol
Molecular Mass 645.916 g·mol−1
Heat of Formation -666.7 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 523.6 Å 3
Surface Area 400.46 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey UEHRKNCNWDEMQK-RJJWPZSVSA-N
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Elements H C Br O