Isorenieratene

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Properties Simple | Detailed

Formula C40H48
IUPAC Name 2-[2-(2-ethynylcyclopropen-1-yl)ethynyl]-1,3,4-trimethyl-benzene; 1,2,4-trimethyl-3-[2-(2-prop-1-ynylcyclopropen-1-yl)ethynyl]benzene
Molecular Mass 528.809 g·mol−1
Heat of Formation 311.0 ± 16.7 kJ·mol−1
Dipole Moment 0.70 ± 1.08 D
Volume 755.58 Å 3
Surface Area 660.4 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,4-trimethyl-3-[(1e,3e,5e,7e,9e,11e,13e,15e,17e)-3,7,12,16-tetramethyl-18-(2,3,6-trimethylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene
  • isorenieratene/ (leprotene)
  • lmpr01070124
InChIKey ZCIHMQAPACOQHT-YSEOPJLNSA-N
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