DIAMINE STEEL BLUE L_ChemCD

DIAMINE STEEL BLUE L

basic_info
Product_Name：	DIAMINE STEEL BLUE L
EnglishSynonyms：	DIAMINE STEEL BLUE L ; DIRECT BLUE 39
pro_mdlNumber：	MFCD08235277
pro_acceptors：	22
pro_donors：	4
pro_smile：	Cc1ccc(cc1/N=N/c2c(cc3cc(c(c(c3c2N)O)/N=N/c4ccc(cc4C)c5ccc(c(c5)C)/N=N/c6ccc7c(ccc(c7c6O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C41H33N9O13S3.3Na/c1-19-4-7-25(50(53)54)18-31(19)47-48-38-33(65(58,59)60)16-24-17-34(66(61,62)63)39(41(52)35(24)37(38)43)49-45-29-11-6-23(15-21(29)3)22-5-10-28(20(2)14-22)44-46-30-12-8-26-32(64(55,56)57)13-9-27(42)36(26)40(30)51;;;/h4-18,51-52H,42-43H2,1-3H3,(H,55,56,57)(H,58,59,60)(H,61,62,63);;;/q;3*+1/p-3/b46-44+,48-47+,49-45+;;;
InChiKey：	InChIKey=GWTYGJKPMPILNV-BCKIHQJKSA-K

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