5,5'-Dihydroxy-6,6',8,8'-Tetramethoxy-2,2'-Dimethyl-4H,4'H-7,10'-Bibenzo[G]Chromene-4,4'-Dione

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Properties Simple | Detailed

Formula C22H10O10
IUPAC Name formaldehyde; (1s)-5'-(2-hydroxyethynyl)-4,4',7-tris(oxomethylene)spiro[2,8-dihydrocyclopenta[e]benzofuran-1,2'-cyclohexane]-1',3',5,6-tetrone
Molecular Mass 434.309 g·mol−1
Heat of Formation 157.8 ± 16.7 kJ·mol−1
Dipole Moment 2.72 ± 1.08 D
Volume 441.21 Å 3
Surface Area 380.01 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (7,10'-bi-4h-naphtho(2,3-b)pyran)-4,4'-dione, 5,5'-dihydroxy-6,6',8,8'-tetramethoxy-2,2'-dimethyl-
  • 5-hydroxy-10-(5-hydroxy-4-keto-6,8-dimethoxy-2-methyl-benzo[g]chromen-7-yl)-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one
  • 5-hydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-7-benzo[g]chromenyl)-6,8-dimethoxy-2-methyl-4-benzo[g]chromenone
  • 5-hydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-benzo[g]chromen-7-yl)-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one
  • 5-hydroxy-10-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-7-yl)-6,8-dimethoxy-2-methylbenzo[g]chromen-4-one
  • aurasperone
CAS Number(s)
  • 15085-74-2
InChIKey QAHRSPAZSGMZMT-UHFFFAOYSA-N
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