(2E,8E,10E,12E,14Z)-14-(5-Oxo-2(5H)-Furanylidene)-2,8,10,12-Tetradecatetraene-4,6-Diynoic Acid

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Formula C18H12O4
IUPAC Name (2e,8e,10e,12e,14z)-14-(5-oxo-2-furylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
Molecular Mass 292.285 g·mol−1
Heat of Formation 146.0 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 333.85 Å 3
Surface Area 325.62 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,8e,10e,12e,14z)-14-(5-keto-2-furylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
  • (2e,8e,10e,12e,14z)-14-(5-oxo-2-furylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
  • (2e,8e,10e,12e,14z)-14-(5-oxofuran-2-ylidene)tetradeca-2,8,10,12-tetraen-4,6-diynoic acid
  • 2,8,10,12-tetradecatetraene-4,6-diynoic acid, 14-(5-oxo-2(5h)-furanylidene)-, (z,e,e,e,e)-
  • xerulinic acid
CAS Number(s)
  • 132971-62-1
InChIKey PINXAKGQRZGYOZ-LNUZTLHMSA-N
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