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            当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » AIDS189852,AIDS-189852,3,5-Heptanedione, 4-[10-(2-chloro-4-methoxyphen

            AIDS189852,AIDS-189852,3,5-Heptanedione, 4-[10-(2-chloro-4-methoxyphen

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            新萄京娱乐场老牌网址:AIDS189852,AIDS-189852,3,5-Heptanedione, 4-[10-(2-chloro-4-methoxyphenoxy)decyl]-, 4-[10-(2-chloro-4-methoxyphenoxy)decyl]heptane-3,5-dione,Canonical SMILES: CCC(=O)C(CCCCCCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC,InChI: InChI=1/C24H37ClO4/c1-4-22(26)20(23(2
            [Synonyms]
            AIDS189852
            AIDS-189852
            3,5-Heptanedione, 4-[10-(2-chloro-4-methoxyphenoxy)decyl]-

            [Structure]
            AIDS189852,AIDS-189852,3,5-Heptanedione, 4-[10-(2-chloro-4-methoxyphen

            [ Properties Computed from Structure]
            Molecular Weight425.00118 [g/mol]
            Molecular FormulaC24H37ClO4
            XLogP7.3
            H-Bond Donor0
            H-Bond Acceptor4
            Rotatable Bond Count17
            Tautomer Count5
            Exact Mass424.238037
            MonoIsotopic Mass424.238037
            Topological Polar Surface Area52.6
            Heavy Atom Count29
            Formal Charge0
            Complexity438
            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: 4-[10-(2-chloro-4-methoxyphenoxy)decyl]heptane-3,5-dione
            Canonical SMILES: CCC(=O)C(CCCCCCCCCCOC1=C(C=C(C=C1)OC)Cl)C(=O)CC
            InChI: InChI=1/C24H37ClO4/c1-4-22(26)20(23(27)5-2)14-12-10-8-6-7-9-11-13-17-29-
            24-16-15-19(28-3)18-21(24)25/h15-16,18,20H,4-14,17H2,1-3H3

             
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