2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE

pro_cas
99099-78-2
pro_cdbregno
CCD00553515
pro_formula
C19 H21 N3 O6 S
pro_molWeight
419.456

basic_info

Product_Name: 2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE
CAS: 99099-78-2
EnglishSynonyms: 2,3,4-TRIHYDROXY-4-(2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)BUTYL 4-METHYLBENZENESULFONATE
pro_mdlNumber: MFCD06660544
pro_acceptors: 9
pro_donors: 3
pro_smile: Cc1ccc(cc1)S(=O)(=O)OCC(C(C(c2cnn(n2)c3ccccc3)O)O)O
InChi: InChI=1S/C19H21N3O6S/c1-13-7-9-15(10-8-13)29(26,27)28-12-17(23)19(25)18(24)16-11-20-22(21-16)14-5-3-2-4-6-14/h2-11,17-19,23-25H,12H2,1H3
InChiKey: InChIKey=WHXCEDUFWVSHQA-UHFFFAOYSA-N

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