(3As)-3A-Methyl-2,3A,4,5,7,13-Hexahydro-3H-Cyclopenta[H]Isothiochromeno[4,3-C]Isothiochromen-3-One

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Formula C20H18OS2
IUPAC Name (3as)-3a-methyl-2,3a,4,5,7,13-hexahydro-3h-cyclopenta[h]isothiochromeno[4,3-c]isothiochromen-3-one
Molecular Mass 338.486 g·mol−1
Heat of Formation 67.0 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 385.38 Å 3
Surface Area 324.04 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1,6-deto
  • 1,6-dithiabenz(3,4)estra-3,5(10),8,14-tetraen-17-one
  • 3h-indeno(5',4':4,5)thiopyrano(3,2-c)(2)benzothiopyran-3-one, 2,3a,4,5,7,13-hexahydro-3a-methyl-, (+-)-
CAS Number(s)
  • 87303-94-4
InChIKey WAPGFRWUVYAQOC-FQEVSTJZSA-N
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