4-({4-[(2,4-Dihydroxy-3,6-Dimethylbenzoyl)Oxy]-2-Methoxy-3,5,6-Trimethylbenzoyl}Oxy)-2-Methoxy-3,5,6-Trimethylbenzoic Acid

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Properties Simple | Detailed

Formula C31H34O10
IUPAC Name carbon dioxide; 2,4-dimethylenebicyclo[4.1.0]hept-1(6)-ene-3,5-dione; 3-(oxomethylene)cyclobutane-1,2-dione; 2,4,5-trimethylene-6-(oxomethylene)cyclohexane-1,3-dione
Molecular Mass 566.596 g·mol−1
Heat of Formation -1716.9 ± 16.7 kJ·mol−1
Dipole Moment 5.24 ± 1.08 D
Volume 658.19 Å 3
Surface Area 528.08 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(2,4-dihydroxy-3,6-dimethyl-phenyl)carbonyloxy-2-methoxy-3,5,6-trimethyl-phenyl]carbonyloxy-2-methoxy-3,5,6-trimethyl-benzoic acid
  • 4-[4-(2,4-dihydroxy-3,6-dimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
  • 4-[[4-[(2,4-dihydroxy-3,6-dimethylphenyl)-oxomethoxy]-2-methoxy-3,5,6-trimethylphenyl]-oxomethoxy]-2-methoxy-3,5,6-trimethylbenzoic acid
  • benzoic acid, 4-((2,4-dihydroxy-3,6-dimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester
  • thielavin b
  • thielavin-b
CAS Number(s)
  • 71950-67-9
InChIKey UULGWGARYDGVBM-UHFFFAOYSA-N
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