DIRECT ORANGE 84 ,6844-76-4 _ChemCD

DIRECT ORANGE 84

basic_info
Product_Name：	DIRECT ORANGE 84
CAS：	6844-76-4
EnglishSynonyms：	DIRECT ORANGE 84
pro_mdlNumber：	MFCD00267042
pro_acceptors：	15
pro_donors：	3
pro_smile：	Cc1ccc2c(c1S(=O)(=O)[O-])sc(n2)c3ccc(cc3)N4C(C(C(=N4)C)/N=N/c5ccc(cc5S(=O)(=O)[O-])NC(=O)c6cccc(c6)N)O.[Na+].[Na+]
InChi：	InChI=1S/C31H27N7O8S3.2Na/c1-16-6-12-24-27(28(16)49(44,45)46)47-30(34-24)18-7-10-22(11-8-18)38-31(40)26(17(2)37-38)36-35-23-13-9-21(15-25(23)48(41,42)43)33-29(39)19-4-3-5-20(32)14-19;;/h3-15,26,31,40H,32H2,1-2H3,(H,33,39)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b36-35+;;
InChiKey：	InChIKey=CFBGFOGDQIXONO-APVPWGIASA-L

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