Cas no 97600-45-8 (Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester)

Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester structure
97600-45-8 structure
Product Name:Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester
CAS No:97600-45-8
MF:C66H72O18
MW:1153.26710128784
CID:801258
PubChem ID:329752074
Update Time:2025-04-19

Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester
    • Acetic acid,2,2',2'',2''',2'''',2'''''-[heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dote...
    • Acetic acid,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),9,11,1
    • Amine ionophore I
    • DTXSID80399383
    • AKOS015916239
    • Amine ionophore I, Selectophore(TM), function tested
    • Cesium ionophore I
    • tiemoniumiodide
    • CALIX[6]ARENE-HEXAACETIC ACID HEXAETHYL ESTER
    • 97600-45-8
    • Cesium ionophore I, Selectophore(TM), function tested
    • 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
    • SCHEMBL704505
    • Calix[6]arene-hexaacetic acid hexaethylester
    • MDL: MFCD00214147
    • 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
    • InChI Key: LSVIETSWDFUREK-UHFFFAOYSA-N
    • SMILES: O(CC(=O)OCC)C1=C2C=CC=C1CC1C=CC=C(C=1OCC(=O)OCC)CC1C=CC=C(C=1OCC(=O)OCC)CC1C=CC=C(C=1OCC(=O)OCC)CC1C=CC=C(C=1OCC(=O)OCC)CC1C=CC=C(C=1OCC(=O)OCC)C2

Computed Properties

  • Exact Mass: 1152.47186544g/mol
  • Monoisotopic Mass: 1152.47186544g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 18
  • Heavy Atom Count: 84
  • Rotatable Bond Count: 30
  • Complexity: 1580
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 13.1
  • Topological Polar Surface Area: 213?2

Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Safety Instruction: 22-24/25

Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester Pricemore >>

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Acetic acid,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-octadecaene-37,38,39,40,41,42-hexaylhexakis(oxy)]hexakis-,1,1',1'',1''',1'''',1'''''-hexaethyl ester Related Literature

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