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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight260.32611 [g/mol]
    Molecular FormulaC10H21NaO4S
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count8
    Exact Mass260.105825
    MonoIsotopic Mass260.105825
    Topological Polar Surface Area66.4
    Heavy Atom Count16
    Formal Charge0
    Complexity217
    Isotope Atom Count0
    Defined Atom StereoCenter Count1
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: sodium [(2S)-decan-2-yl] sulfate
    Canonical SMILES: CCCCCCCCC(C)OS(=O)(=O)[O-].[Na+]
    Isomeric SMILES: CCCCCCCC[C@H](C)OS(=O)(=O)[O-].[Na+]
    InChI: InChI=1/C10H22O4S.Na/c1-3-4-5-6-7-8-9-10(2)14-15(11,12)13;/h10H,3-9H2,
    1-2H3,(H,11,12,13);/q;+1/p-1/t10-;/m1./s1/fC10H21O4S.Na/q-1;m



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