Amine ionophore I

ethyl 2-[[38,39,40,41,42-pentakis(2-ethoxy-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetate

Also Known As: Amine ionophore I|tiemoniumiodide|Cesium ionophore I|Calix[6]arene hexakis(ethyl acetate)|Calix[6]arene-hexaacetic acid hexaethylester|Calix[6]arene hexaacetic acid hexaethyl ester|CALIX[6]ARENE-HEXAACETIC ACID HEXAETHYL ESTER|CALIX[6]ARENE-HEXAACETICACIDHEXAETHYLESTER|Amine ionophore I, Selectophore(TM), function tested|I14-49668|PBCMLIX[6]ARENE-HEXAACETIC ACID HEXAETHYL ESTER|37,38,39,40,41,42-[(Ethoxycarbonyl)-methoxy]calix[6]arene|ethyl 2-[[38,39,40,41,42-pentakis(2-ethoxy-2-oxoethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetate|Hexaethyl 2,2',2'',2''',2'''',2'''''-(1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-12,32,52,72,92,112-hexaylhexakis(oxy))hexaacetate|[[Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexyl]hexakisoxy]hexaacetic acid hexaethyl ester|[Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexayl]hexakis(oxy)hexakis(acetic acid ethyl) ester|[Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexakis(oxy)]hexakis(acetic acid ethyl) ester|2,2 ,2 ,2 ,2 ,2 -(Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexaoxy)hexakis(acetic acid ethyl) ester|2,2 ,2 ,2 ,2 ,2 -[Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexaoxy]hexakis(acetic acid ethyl) ester|2,6 -Methylene-2 ,6 -methylene-2 ,6 -methylene-2 ,6 -methylene-2 ,6 -methylene-2 ,6-methylenehexakis[1-(2-oxo-2-ethoxyethoxy)benzene]|37,38,39,40,41,42-Hexakis(ethoxycarbonylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene|37,38,39,40,41,42-Hexakis(ethoxycarbonylmethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetracontane-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecene|ethyl 2-{[38,39,40,41,42-pentakis(2-ethoxy-2-oxoethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaen-37-yl]oxy}acetate|Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexaylhexakisoxyhexakis(acetic acid ethyl) ester|Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexa(oxy)hexakis(acetic acid ethyl) ester|Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexakis(oxy)hexaacetic acid hexaethyl ester|Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexaoxyhexaacetic acid hexaethyl ester|Hexaethyl 2,2',2'',2''',2'''',2'''''-[1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-1~2~,3~2~,5~2~,7~2~,9~2~,11~2~-hexaylhexakis(oxy)]hexaacetate|hexaethyl calix<6>arene hexaacetate; 37,38,39,40,41-hexakis(ethoxycarbonylmethoxy)calix[6]arene; Cesium ionophore I; Calix[6]arene-hexaacetic acid hexaethylester; 37,38,39,40,41,42-Hexaethoxycarbonylmethyleneoxycalix[6]arene;

Molecular Formula	C66H72O18
Molecular Weight	1152.4719 g/mol
LogP	9.1962
Topological Polar Surface Area	213.18 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	18
Rotatable Bonds	24
Exact Mass	1152.4719
Monoisotopic Mass	1152.4719
Heavy Atoms	84
Complexity	2578.2764

Chemical Identifiers

CAS Number	97600-45-8
SMILES	CCOC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6OCC(=O)OCC)CC7=CC=CC(=C7OCC(=O)OCC)CC1=CC=C2)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC