SpectraBase Spectrum ID |
BAQKXqbBnwV |
Name |
26-Ethoxy-28-hydroxy-5-iodocalix[4]arenecrown-4 |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
692.163483905 u |
Formula |
C36H37IO6 |
InChI |
InChI=1S/C36H37IO6/c1-2-41-34-24-6-3-7-25(34)19-27-9-5-11-29-21-31-23-32(37)22-30(33(31)38)20-28-10-4-8-26(18-24)35(28)42-16-14-39-12-13-40-15-17-43-36(27)29/h3-11,22-23,38H,2,12-21H2,1H3 |
InChIKey |
WHIKHKJCHAWKLB-UHFFFAOYSA-N |
Molecular Weight |
692.590 g/mol |
SMILES |
C=12C(=C(CC=3C4=C(CC=5C(=C(CC=6C(=C(C2)C=CC6)OCCOCCOCCO4)C=CC5)OCC)C=CC3)C=C(C1)I)O |