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Tying a knot between crown ethers and porphyrins

Maksym Matviyishyn and Bartosz Szyszko

Beilstein J. Org. Chem. 2023, 19, 1630–1650. https://doi.org/10.3762/bjoc.19.120

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Chemical structure C<sub>18</sub>H<sub>36</sub>N<sub>2</sub>O<sub>6</sub>

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Extracted from

Scheme 9

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₃₆N₂O₆
Molecular Weight	376.49 g/mol
Exact Mass	376.2573 Da
InChI	InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2
InChIKey	AUFVJZSDSXXFOI-UHFFFAOYSA-N
SMILES	C1COCCOCCN2CCOCCOCCN1CCOCCOCC2
Number of Atoms	62
Number of H-Bond Acceptors	8
Number of H-Bond Donors	0
Atoms in the Largest π-System	0
XLogP	-1.6

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