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Hexaethyl 2,2',2'',2''',2'''',2'''''-[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(39),22,24,27(38),28,30,33,35-octadecaene-37,3 8,39,40,41,42-hexaylhexakis(oxy)]hexaacetate
[CAS# 97600-45-8]

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Identification
Name Hexaethyl 2,2',2'',2''',2'''',2'''''-[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(39),22,24,27(38),28,30,33,35-octadecaene-37,3 8,39,40,41,42-hexaylhexakis(oxy)]hexaacetate
Synonyms 37,38,39,40,41,42-Hexaethoxycarbonylmethyleneoxycalix[6]arene; Amine ionophore I
Molecular Structure CAS#: 97600-45-8, Hexaethyl 2,2',2'',2''',2'''',2'''''-[heptacyclo[31.3.1.1<sup>3,7</sup>.1<sup>9,13</sup>.1<sup>15,19</sup>.1<sup>21,25</sup>.1<sup>27,31</sup>]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,3 8,39,40,41,42-hexaylhexakis(oxy)]hexaacetate
Molecular Formula C66H72O18
Molecular Weight 1153.27
CAS Registry Number 97600-45-8
SMILES O=C(OCC)COc1c7cccc1Cc2cccc(c2OCC(=O)OCC)Cc3cccc(c3OCC(=O)OCC)Cc4cccc(c4OCC(=O)OCC)Cc5c(OCC(=O)OCC)c(ccc5)Cc6cccc(c6OCC(=O)OCC)C7
InChI 1S/C66H72O18/c1-7-73-55(67)37-79-61-43-19-13-20-44(61)32-46-22-15-24-48(63(46)81-39-57(69)75-9-3)34-50-26-17-28-52(65(50)83-41-59(71)77-11-5)36-54-30-18-29-53(66(54)84-42-60(72)78-12-6)35-51-27-16-25-49(64(51)82-40-58(70)76-10-4)33-47-23-14-21-45(31-43)62(47)80-38-56(68)74-8-2/h13-30H,7-12,31-42H2,1-6H3
InChIKey LSVIETSWDFUREK-UHFFFAOYSA-N
Properties
Density 1.201g/cm3 (Cal.)
Boiling point 1097.265°C at 760 mmHg (Cal.)
Flash point 400.545°C (Cal.)
Market Analysis Reports
List of Reports Available for Hexaethyl 2,2',2'',2''',2'''',2'''''-[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(39),22,24,27(38),28,30,33,35-octadecaene-37,3 8,39,40,41,42-hexaylhexakis(oxy)]hexaacetate
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