DIRECT BROWN B_ChemCD

DIRECT BROWN B

basic_info
Product_Name：	DIRECT BROWN B
EnglishSynonyms：	ERIE FAST BROWN B ; DIRECT BROWN B ; DIRECT BROWN 31
pro_mdlNumber：	MFCD00266875
pro_acceptors：	23
pro_donors：	4
pro_smile：	Cc1cc(c(c(c1N)/N=N/c2ccc(cc2)c3ccc(cc3)/N=N/c4ccc(c(c4)C(=O)[O-])O)N)/N=N/c5cc6c(cc5S(=O)(=O)[O-])cc(c(c6O)/N=N/c7ccc(c8c7cccc8)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C46H34N10O13S3.4Na/c1-23-18-36(42(48)44(41(23)47)56-50-28-12-8-25(9-13-28)24-6-10-27(11-7-24)49-51-29-14-16-37(57)33(21-29)46(59)60)54-53-35-22-32-26(19-39(35)71(64,65)66)20-40(72(67,68)69)43(45(32)58)55-52-34-15-17-38(70(61,62)63)31-5-3-2-4-30(31)34;;;;/h2-22,57-58H,47-48H2,1H3,(H,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69);;;;/q;4*+1/p-4/b51-49+,54-53+,55-52+,56-50+;;;;
InChiKey：	InChIKey=DWAUTGHCJRNULO-LDHHNXPKSA-J

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