C.I.直接蓝85 ,70210-31-0 _ChemCD

C.I.直接蓝85

basic_info
Product_Name：	C.I.直接蓝85
CAS：	70210-31-0
中文同义词：	C.I.直接蓝85
EnglishSynonyms：	TETRASODIUM 8-[[4-[(4-AMINO-3-SULPHONATOPHENYL)AZO]-6-SULPHONATONAPHTHYL]AZO]-5-[[6-(BENZOYLAMINO)-1-HYDROXY-3-SULPHONATO-2-NAPHTHYL]AZO]NAPHTHALENE-2-SULPHONATE
pro_mdlNumber：	MFCD23379990
pro_acceptors：	22
pro_donors：	3
pro_smile：	c1ccc(cc1)C(=O)Nc2cc3cc(c(c(c3c(c2)/N=N/c4cc(cc5c4cccc5/N=N/c6ccc(c(c6)S(=O)(=O)[O-])N)S(=O)(=O)[O-])O)/N=N/c7cccc8c7ccc(c8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C43H30N8O14S4.4Na/c44-33-15-12-26(20-38(33)68(60,61)62)46-47-35-11-5-9-31-32(35)21-29(67(57,58)59)22-36(31)49-50-37-19-27(45-43(53)23-6-2-1-3-7-23)16-25-18-39(69(63,64)65)41(42(52)40(25)37)51-48-34-10-4-8-24-17-28(66(54,55)56)13-14-30(24)34;;;;/h1-22,52H,44H2,(H,45,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65);;;;/q;4*+1/p-4/b47-46+,50-49+,51-48+;;;;
InChiKey：	InChIKey=OYXLNEWYOBBSPE-LPVFBKNZSA-J

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