2,5-Dimethyl-2-(4,8,12-Trimethyltridecyl)-2H-Benzo[H]Chromen-6-Ol

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Formula C31H22O2
IUPAC Name 3-[3-[2-[[2-[2-(2-methylcyclopropen-1-yl)ethynyl]cyclopropylidene]methylene]cyclopropyl]prop-1-ynyl]-6-methylene-benzo[i][1]benzoxepin-7-one
Molecular Mass 426.505 g·mol−1
Heat of Formation 4715.4 ± 16.7 kJ·mol−1
Dipole Moment 6.91 ± 1.08 D
Volume 437.34 Å 3
Surface Area 386.6 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -2.77 ± eV
Point Group Symmetry C1
InChIKey IXEMAIWRPCYZEQ-OVMXQCPESA-N
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Elements C O