4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester

ethyl 2-[[5,11,17,23,29,35-hexatert-butyl-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(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetate

Also Known As: Cesium ionophore II|ISAZOPHOS|4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester|p-tert-Butylcalix[6]arene hexakis(ethyl acetate)|I14-56205|4-TERT-BUTYLCALIX(6)ARENE-HEXAACETIC ACID HEXAETHYL ESTER|4-tert-Butylcalix[6]arenehexaacetic acid hexaethyl ester|p-tert-Butylcalix[6]arene hexaacetic acid hexaethyl ester|4-TERT-BUTYLCALIX(6)ARENE-HEXAACETICACIDHEXAETHYLESTER|ethyl 2-[[5,11,17,23,29,35-hexatert-butyl-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(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl]oxy]acetate|[(5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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)hexaoxy]hexakis(acetic acid ethyl) ester|[[5,11,17,23,29,35-Hexakis(tert-butyl)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]hexakisoxy]hexaacetic acid hexaethyl ester|[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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-hexaylhexakisoxy]hexakis(acetic acid ethyl) ester|[5,11,17,23,29,35-Hexatert-butylheptacyclo[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 -[[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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]hexakis(acetic acid ethyl) ester|2,2 ,2 ,2 ,2 ,2 -[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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-hexylhexakisoxy]hexaacetic acid hexaethyl ester|2,2 ,2 ,2 ,2 ,2 -[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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-hexylhexakisoxy]hexakis(acetic acid ethyl) ester|2,2 ,2 ,2 ,2 ,2 -[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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]hexaacetic acid hexaethyl ester|2,2 ,2 ,2 ,2 ,2 -[5,11,17,23,29,35-Hexakis-tert-butylheptacyclo[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]hexa(acetic acid ethyl) ester|5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis[(ethoxycarbonyl)methoxy]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|5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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|5,11,17,23,29,35-Hexa-tert-butylheptacyclo[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|829-079-7|ethyl 2-{[5,11,17,23,29,35-hexa-tert-butyl-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|Hexaethyl 2,2',2'',2''',2'''',2'''''-{[1~5~,3~5~,5~5~,7~5~,9~5~,11~5~-hexa-tert-butyl-1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-1~2~,3~2~,5~2~,7~2~,9~2~,11~2~-hexayl]hexakis(oxy)}hexaacetate

Molecular Formula	C90H120O18
Molecular Weight	1488.8474 g/mol
LogP	16.9812
Topological Polar Surface Area	213.18 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	18
Rotatable Bonds	24
Exact Mass	1488.8474
Monoisotopic Mass	1488.8474
Heavy Atoms	108
Complexity	3370.737

Chemical Identifiers

CAS Number	92003-62-8
SMILES	CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=CC(=CC(=C4OCC(=O)OCC)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C)C(C)(C)C