Methyl (2R)-5,7-Dichloro-4-Hydroxy-6'-Methoxy-6-Methyl-3,4'-Dioxo-3H-Spiro[1-Benzofuran-2,1'-Cyclohexa[2,5]Diene]-2'-Carboxylate

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Properties Simple | Detailed

Formula C17H12Cl2O7
IUPAC Name methyl (2r)-5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
Molecular Mass 399.179 g·mol−1
Heat of Formation -953.8 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 404.56 Å 3
Surface Area 345.09 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-5,7-dichloro-4-hydroxy-3,3'-diketo-5'-methoxy-6-methyl-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylic acid methyl ester
  • (2r)-5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-1'-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]carboxylic acid methyl ester
  • methyl (2r)-5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[1-benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
  • methyl (2r)-5,7-dichloro-4-hydroxy-5'-methoxy-6-methyl-3,3'-dioxo-spiro[benzofuran-2,6'-cyclohexa-1,4-diene]-1'-carboxylate
InChIKey LUBKKVGXMXTXOZ-QGZVFWFLSA-N
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