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  • (S)-4-[(1-Methylheptyloxy)carbonyl]phenyl 4-octyloxy-4-biphenylcarboxylate

  • (S)-4-[(1-Methylheptyloxy)carbonyl]phenyl 4-octyloxy-4-biphenylcarboxylate

    Catalog Number
    ACM112901674
    Product Name
    (S)-4-[(1-Methylheptyloxy)carbonyl]phenyl 4-octyloxy-4-biphenylcarboxylate
    Structure
    CAS
    112901-67-4
    Category
    Liquid Crystal (LC) Materials
    Synonyms
    (S)-4-[(1-METHYLHEPTYLOXY)CARBONYL]PHENYL 4-OCTYLOXY-4-BIPHENYLCARBOXYLATE;(S)-4-((1-methylheptyloxy)carbonyl)phenyl 4-octy;(S)-4-((1-METHYLHEPTYLOXY)CARBONYL)PHENYL 4-OCTYLOXY-4-BIPHENYLCARBOXYLATE 99%;(S)-4-[(1-Methylheptyloxy)carbonyl]phenyl 4`-octylox
    IUPAC Name
    [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-(4-octoxyphenyl)benzoate
    Molecular Weight
    558.7g/mol
    Molecular Formula
    C36H46O5
    Canonical SMILES
    CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC
    InChI
    InChI=1S/C36H46O5/c1-4-6-8-10-11-13-27-39-33-23-19-30(20-24-33)29-15-17-31(18-16-29)36(38)41-34-25-21-32(22-26-34)35(37)40-28(3)14-12-9-7-5-2/h15-26,28H,4-14,27H2,1-3H3/t28-/m0/s1
    InChI Key
    AYYWUKWHSHVSLJ-NDEPHWFRSA-N
    Complexity
    699
    Covalently-Bonded Unit Count
    1
    Exact Mass
    558.334525g/mol
    Formal Charge
    0
    Heavy Atom Count
    41
    Monoisotopic Mass
    558.334525g/mol
    Rotatable Bond Count
    20
    XLogP3
    11.5
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