DIRECT BLACK 56 ,8003-57-4 _ChemCD

DIRECT BLACK 56

basic_info
Product_Name：	DIRECT BLACK 56
CAS：	8003-57-4
EnglishSynonyms：	DIRECT BLACK 56 ; CI DIRECT BLACK 56
pro_mdlNumber：	MFCD00231190
pro_acceptors：	17
pro_donors：	2
pro_smile：	c1ccc(cc1)/N=N/c2ccc(c3c2cc(cc3)S(=O)(=O)[O-])/N=N/c4ccc(c5c4cc(cc5)S(=O)(=O)[O-])/N=N/c6c(cc7ccc(cc7c6O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C36H25N7O10S3.3Na/c37-21-7-6-20-16-34(56(51,52)53)35(36(44)27(20)17-21)43-42-31-13-15-33(29-19-24(55(48,49)50)9-11-26(29)31)41-40-30-12-14-32(39-38-22-4-2-1-3-5-22)28-18-23(54(45,46)47)8-10-25(28)30;;;/h1-19,44H,37H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b39-38+,41-40+,43-42+;;;
InChiKey：	InChIKey=PIQVJYULRMZYIJ-AFZDYOOLSA-K

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