Methyl 2-Chloro-9-Ethyl-6,8-Dihydroxy-1-Methoxy-3-Methyl-7,12-Dioxo-7,12-Dihydro-10-Tetraphenecarboxylate

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Properties Simple | Detailed

Formula C24H19ClO7
IUPAC Name methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-benzo[a]anthracene-10-carboxylate
Molecular Mass 454.856 g·mol−1
Heat of Formation -1015.7 ± 16.7 kJ·mol−1
Dipole Moment 1.62 ± 1.08 D
Volume 486.16 Å 3
Surface Area 408.46 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-10-benzo[b]phenanthrenecarboxylic acid methyl ester
  • 2-chloro-9-ethyl-6,8-dihydroxy-7,12-diketo-1-methoxy-3-methyl-benzo[b]phenanthrene-10-carboxylic acid methyl ester
  • methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-benzo[b]phenanthrene-10-carboxylate
  • methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxobenzo[b]phenanthrene-10-carboxylate
InChIKey NFJVYTZFJNVKBA-UHFFFAOYSA-N
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