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

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Properties Simple | Detailed

Formula C32H36O10
IUPAC Name 4-[4-(2,4-dihydroxy-3,5,6-trimethyl-benzoyl)oxy-2-methoxy-3,5,6-trimethyl-benzoyl]oxy-2-methoxy-3,5,6-trimethyl-benzoic acid
Molecular Mass 580.622 g·mol−1
Heat of Formation -1725.5 ± 16.7 kJ·mol−1
Dipole Moment 9.24 ± 1.08 D
Volume 680.43 Å 3
Surface Area 543.18 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(2,4-dihydroxy-3,5,6-trimethyl-phenyl)carbonyloxy-2-methoxy-3,5,6-trimethyl-phenyl]carbonyloxy-2-methoxy-3,5,6-trimethyl-benzoic acid
  • 4-[4-(2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid
  • 4-[[4-[(2,4-dihydroxy-3,5,6-trimethylphenyl)-oxomethoxy]-2-methoxy-3,5,6-trimethylphenyl]-oxomethoxy]-2-methoxy-3,5,6-trimethylbenzoic acid
  • benzoic acid, 4-((2,4-dihydroxy-3,5,6-trimethylbenzoyl)oxy)-2-methoxy-3,5,6-trimethyl-, 4-carboxy-3-methoxy-2,5,6-trimethylphenyl ester
  • thielavin c
  • thielavin-c
CAS Number(s)
  • 86413-60-7
InChIKey SXEAWTIIAHALTL-UHFFFAOYSA-N
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