Methylustin

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Properties Simple | Detailed

Formula C20H17Cl3O5
IUPAC Name 2,8,10-trichloro-9-hydroxy-3-methoxy-4,7-dimethyl-1-[(e)-1-methylprop-1-enyl]benzo[b][1,4]benzodioxepin-6-one
Molecular Mass 443.705 g·mol−1
Heat of Formation -738.4 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 459.4 Å 3
Surface Area 372.01 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(e)-but-2-en-2-yl]-2,8,10-trichloro-9-hydroxy-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodioxepin-6-one
  • 1-[(e)-but-2-en-2-yl]-2,8,10-trichloro-9-hydroxy-3-methoxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
  • 11h-dibenzo(b,e)(1,4)dioxepin-11-one, 2,4,6(or 2,4,7)-trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-7(or 6)-(1-methyl-1-propenyl)-
  • 2,8,10-trichloro-9-hydroxy-3-methoxy-4,7-dimethyl-1-[(e)-1-methylprop-1-enyl]-6-benzo[b][1,4]benzodioxepinone
  • 2,8,10-trichloro-9-hydroxy-3-methoxy-4,7-dimethyl-1-[(e)-1-methylprop-1-enyl]benzo[b][1,4]benzodioxepin-6-one
  • nidulin
  • o-methylustin
CAS Number(s)
  • 1329-04-0
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