SpectraBase Spectrum ID |
Kqax7AjWbs4 |
Name |
11,23-dichloro-5,17-octano-25,26,27,28-tetrahydroxycalix[4]arene |
CAS Registry Number |
115914-62-0 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C36H36Cl2O4 |
InChI |
InChI=1S/C36H36Cl2O4/c37-31-17-27-13-23-9-21-7-5-3-1-2-4-6-8-22-11-25(15-29(19-31)35(27)41)34(40)26(12-22)16-30-20-32(38)18-28(36(30)42)14-24(10-21)33(23)39/h9-12,17-20,39-42H,1-8,13-16H2 |
InChIKey |
LPEOERLJYSANBN-UHFFFAOYSA-N |
Molecular Weight |
603.586 g/mol |
SMILES |
Oc1c2Cc3c(c4Cc5c(c(Cc6c(c(Cc1cc(c2)Cl)cc(c6)CCCCCCCCc(c4)c3)O)cc(c5)Cl)O)O |
SPLASH |
splash10-0udi-0000009000-beaa3df23c930638a94a |
Source of Spectrum |
C-110-6817-35 |
Synonyms |
20,29-dichlorohexacyclo[12.11.7.1(3,24).1(12,16).1(18,22).1(27,31)]hexatriaconta-1,3(34),12(36),13,15,18(35),19,21,24,27(33),28,30-dodecaene-15,25,33,35-tetrol |
Wiley ID |
1410329 |