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    Also known as: 14187-32-7, Dibenzo-18-crown-6-ether, Crown 18, 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine, Mfcd00005098, Nsc 147771
    Molecular Formula
    C20H24O6
    Molecular Weight
    360.4  g/mol
    InChI Key
    YSSSPARMOAYJTE-UHFFFAOYSA-N
    FDA UNII
    0A7W45JCS9
    CAS 14187-32-7
    1 2D Structure

    CAS 14187-32-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
    2.1.2 InChI
    InChI=1S/C20H24O6/c1-2-6-18-17(5-1)23-13-9-21-11-15-25-19-7-3-4-8-20(19)26-16-12-22-10-14-24-18/h1-8H,9-16H2
    2.1.3 InChI Key
    YSSSPARMOAYJTE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1
    2.2 Other Identifiers
    2.2.1 UNII
    0A7W45JCS9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Polyether Xxviii

    2.3.2 Depositor-Supplied Synonyms

    1. 14187-32-7

    2. Dibenzo-18-crown-6-ether

    3. Crown 18

    4. 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine

    5. Mfcd00005098

    6. Nsc 147771

    7. 2,3:11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadecane

    8. Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecane

    9. Dibenzo-18-crown 6-ether

    10. Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecane

    11. Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-

    12. 0a7w45jcs9

    13. Chebi:358732

    14. 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene

    15. Nsc-147771

    16. 1,4,7,14,17,20-hexaoxa-[7.7]orthocyclophane

    17. 2,3,11,12-dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene

    18. 6,7,9,10,17,18,20,21-octahydrodibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin

    19. Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-

    20. Dibenzocrown

    21. 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin

    22. 77110-11-3

    23. Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-, Homopolymer

    24. 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecene

    25. Einecs 238-041-3

    26. Brn 1162153

    27. Unii-0a7w45jcs9

    28. Dibenzo-18-crown

    29. Crown-18

    30. Dibenzo 18-crown-6

    31. Dibenzo-18-crown-6 Ether

    32. Ddibenzo-18-crown-6 Ether

    33. Schembl35765

    34. Bidd:er0368

    35. Chembl345536

    36. Dibenzo-18-crown-6, 98%

    37. Dtxsid6022428

    38. Crown Ether Dibenzo-18-crown-6

    39. Bcp24528

    40. Dibenzo(a,j)-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene

    41. Zinc3861212

    42. Bbl000666

    43. Nsc147771

    44. Stk365301

    45. Akos001483343

    46. 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k]-[1,4,7,10,13,16]hexaoxacyclooctadecine

    47. Tin(ii) Ionophore I, Selectophore(tm)

    48. As-12065

    49. Sy011465

    50. Db-042590

    51. Cs-0002003

    52. D1533

    53. Ft-0624631

    54. Dibenzo[b,4,7,10,13,16]hexaoxacyclooctadecane

    55. 187d327

    56. Ae-641/00796004

    57. J-007564

    58. J-520232

    59. Q5272256

    60. F0001-0493

    61. 2,3,11,12 -dibenzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2,11-diene

    62. 6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclo-octadecin

    63. Dibenzo[b,4,7,10,13,16]hexaoxacyclooctadecin, 6,7,9,10,17,18,20,21-octahydro-

    64. 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.0,(1)]hexacosa-1(22),9(14),10,12,23,25-hexaene

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 360.4 g/mol
    Molecular Formula C20H24O6
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass360.15728848 g/mol
    Monoisotopic Mass360.15728848 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity300
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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