酸性红 BB

pro_cas
6548-30-7
pro_cdbregno
CCD00166426
pro_formula
C37 H28 N4 O12 S3 . 2 Na
pro_molWeight
862.822

basic_info

Product_Name: 酸性红 BB
CAS: 6548-30-7
中文同义词: 酸性红 BB
EnglishSynonyms: ACID RED 128
pro_mdlNumber: MFCD00800394
pro_acceptors: 16
pro_donors: 1
pro_smile: Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)/N=N/c3ccc(cc3OC)c4ccc(c(c4)OC)/N=N/c5c(ccc6c5c(cc(c6)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
InChi: InChI=1S/C37H30N4O12S3.2Na/c1-22-4-13-28(14-5-22)56(49,50)53-27-11-9-26(10-12-27)38-39-30-15-6-23(19-33(30)51-2)24-7-16-31(34(20-24)52-3)40-41-37-32(42)17-8-25-18-29(54(43,44)45)21-35(36(25)37)55(46,47)48;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40+;;
InChiKey: InChIKey=XLBRYSLVZOQGLJ-WEUAPPMUSA-L

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