DIRECT ORANGE 85_ChemCD

DIRECT ORANGE 85

basic_info
Product_Name：	DIRECT ORANGE 85
EnglishSynonyms：	DIRECT ORANGE 85
pro_mdlNumber：	MFCD03939210
pro_acceptors：	29
pro_donors：	8
pro_smile：	c1cc(cc(c1)n2c(c(c(n2)/N=N\c3ccc(cc3)C(=O)Nc4ccc(cc4S(=O)(=O)[O-])NC(=O)Nc5ccc(c(c5)S(=O)(=O)[O-])NC(=O)c6ccc(cc6)/N=N/c7c(c(n(n7)c8cccc(c8)N)O)C(=O)[O-])C(=O)[O-])O)N.[Na+].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C47H36N14O15S2.4Na/c48-25-3-1-5-31(19-25)60-43(64)37(45(66)67)39(58-60)56-54-27-11-7-23(8-12-27)41(62)52-33-17-15-29(21-35(33)77(71,72)73)50-47(70)51-30-16-18-34(36(22-30)78(74,75)76)53-42(63)24-9-13-28(14-10-24)55-57-40-38(46(68)69)44(65)61(59-40)32-6-2-4-26(49)20-32;;;;/h1-22,64-65H,48-49H2,(H,52,62)(H,53,63)(H,66,67)(H,68,69)(H2,50,51,70)(H,71,72,73)(H,74,75,76);;;;/q;4*+1/p-4/b56-54-,57-55+;;;;
InChiKey：	InChIKey=BADAGJRRTQQJGZ-ZZTMWPTQSA-J

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