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  • [Synonyms]
    Acryl ethylene isostearoyl titanate
    EINECS 270-554-8
    (Acrylato-O)(ethane-1,2-diolato(2-)-O,O')(isooctadecanoato-O)titanium
    68443-79-8
    Titanium, (1,2-ethanediolato(2-)-kappaO,kappaO')(isooctadecanoato-kappaO)(2-propenoato-kappaO)-

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight466.47474 [g/mol]
    Molecular FormulaC23H46O6Ti
    H-Bond Donor4
    H-Bond Acceptor6
    Rotatable Bond Count16
    Tautomer Count4
    Exact Mass466.277386
    MonoIsotopic Mass466.277386
    Topological Polar Surface Area115
    Heavy Atom Count30
    Formal Charge0
    Complexity360
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count4

    [ Descriptors Computed from Structure]
    IUPAC Name: ethane-1,2-diol; 16-methylheptadecanoic acid; prop-2-enoic acid;
    titanium
    Canonical SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.C=CC(=O)O.C(CO)O.[Ti]
    InChI: InChI=1/C18H36O2.C3H4O2.C2H6O2.Ti/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-
    14-16-18(19)20;1-2-3(4)5;3-1-2-4;/h17H,3-16H2,1-2H3,(H,19,20);2H,1H2,(H,
    4,5);3-4H,1-2H2;/f/h19H;4H;;



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