SIRIUS GREY GB ,6409-87-6 _ChemCD

SIRIUS GREY GB

basic_info
Product_Name：	SIRIUS GREY GB
CAS：	6409-87-6
EnglishSynonyms：	SIRIUS GREY GB
pro_mdlNumber：	MFCD00198072
pro_acceptors：	26
pro_donors：	3
pro_smile：	c1ccc2c(c1)c(ccc2/N=N/c3cc4c(cccc4S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])/N=N/c5ccc(c6c5ccc(c6)S(=O)(=O)[O-])/N=N/c7ccc8c(ccc(c8c7O)/N=N/c9cc(c(cc9N)N)[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C46H31N11O15S4.4Na/c47-32-21-33(48)41(57(59)60)22-40(32)56-54-38-16-17-43(75(67,68)69)29-10-11-39(46(58)45(29)38)55-53-37-15-14-36(27-9-8-24(20-30(27)37)73(61,62)63)52-51-35-13-12-34(25-4-1-2-5-26(25)35)50-49-23-18-31-28(44(19-23)76(70,71)72)6-3-7-42(31)74(64,65)66;;;;/h1-22,58H,47-48H2,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4/b50-49+,52-51+,55-53+,56-54+;;;;
InChiKey：	InChIKey=HUWJZCJLNIPBNI-CRPBDYBHSA-J
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