苯丙砜

pro_cas
133-65-3
pro_cdbregno
CCD00125660
pro_formula
C30 H28 N2 O14 S5 . 4 Na
pro_molWeight
892.841

basic_info

Product_Name: 苯丙砜
CAS: 133-65-3
中文同义词: 苯丙砜
EnglishSynonyms: SOLASULFONE
pro_mdlNumber: MFCD00301905
pro_acceptors: 16
pro_donors: 2
pro_smile: c1ccc(cc1)C(CC(Nc2ccc(cc2)S(=O)(=O)c3ccc(cc3)NC(CC(c4ccccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C30H32N2O14S5.4Na/c33-47(34,25-15-11-23(12-16-25)31-29(50(41,42)43)19-27(48(35,36)37)21-7-3-1-4-8-21)26-17-13-24(14-18-26)32-30(51(44,45)46)20-28(49(38,39)40)22-9-5-2-6-10-22;;;;/h1-18,27-32H,19-20H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4
InChiKey: InChIKey=WAGUNVVOQBKLDL-UHFFFAOYSA-J

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