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  • [Synonyms]
    EINECS 276-549-7
    Monobutyltin tris(myristyl mercaptoacetate)
    Tritetradecyl 2,2',2''-((butylstannylidyne)tris(thio))triacetate
    Acetic acid, 2,2',2''-((butylstannylidyne)tris(thio))tris-, tritetradecyl ester
    72259-65-5

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight1038.26768 [g/mol]
    Molecular FormulaC52H102O6S3Sn
    H-Bond Donor0
    H-Bond Acceptor6
    Rotatable Bond Count54
    Exact Mass1038.58605
    MonoIsotopic Mass1038.58605
    Topological Polar Surface Area78.9
    Heavy Atom Count62
    Formal Charge0
    Complexity861
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: tetradecyl
    2-[butyl-bis[(2-oxo-2-tetradecoxyethyl)sulfanyl]stannyl]sulfanylacetate
    Canonical SMILES: CCCCCCCCCCCCCCOC(=O)CS[Sn](CCCC)(SCC(=O)OCCCCCCCCCCCCCC)SCC(=O)
    OCCCCCCCCCCCCCC
    InChI: InChI=1/3C16H32O2S.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-16(17)
    15-19;1-3-4-2;/h3*19H,2-15H2,1H3;1,3-4H2,
    2H3;/q;;;;+3/p-3/f3C16H31O2S.C4H9.Sn/h3*19h;;/q3*-1;;m/rC52H102O6S3Sn/
    c1-5-9-13-16-19-22-25-28-31-34-37-40-43-56-50(53)47-59-62(46-12-8-4,
    60-48-51(54)57-44-41-38-35-32-29-26-23-20-17-14-10-6-2)61-49-52(55)58-
    45-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-49H2,1-4H3



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