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            当前地位: 新太阳城网址 » 材料 » 化学物质数据库 » CBMicro_044750,ZINC00449226,BIM-0044735.P001, 2,4-ditert-butyl-6-hydro

            CBMicro_044750,ZINC00449226,BIM-0044735.P001, 2,4-ditert-butyl-6-hydro

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            太阳城集团网址大全:CBMicro_044750,ZINC00449226,BIM-0044735.P001, 2,4-ditert-butyl-6-hydroxybenzenesulfonamide,Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)S(=O)(=O)N)C(C)(C)C,InChI: InChI=1/C14H23NO3S/c1-13(2,3)9-7-10(14(4,5)6)12(11(16)8-9)19(15,,17)18/h7-8,16H,1-6H3,(H2
            [Synonyms]
            CBMicro_044750
            ZINC00449226
            BIM-0044735.P001

            [Structure]
            CBMicro_044750,ZINC00449226,BIM-0044735.P001, 2,4-ditert-butyl-6-hydro

            [ Properties Computed from Structure]
            Molecular Weight285.40232 [g/mol]
            Molecular FormulaC14H23NO3S
            XLogP4.4
            H-Bond Donor2
            H-Bond Acceptor4
            Rotatable Bond Count3
            Tautomer Count3
            Exact Mass285.139864
            MonoIsotopic Mass285.139864
            Topological Polar Surface Area80.4
            Heavy Atom Count19
            Formal Charge0
            Complexity411
            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: 2,4-ditert-butyl-6-hydroxybenzenesulfonamide
            Canonical SMILES: CC(C)(C)C1=CC(=C(C(=C1)O)S(=O)(=O)N)C(C)(C)C
            InChI: InChI=1/C14H23NO3S/c1-13(2,3)9-7-10(14(4,5)6)12(11(16)8-9)19(15,
            17)18/h7-8,16H,1-6H3,(H2,15,17,18)/f/h15H2

             
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