AQUASHADE ,92170-50-8 _ChemCD

AQUASHADE

basic_info
Product_Name：	AQUASHADE
CAS：	92170-50-8
EnglishSynonyms：	AQUASHADE
pro_mdlNumber：	MFCD01744934
pro_acceptors：	11
pro_donors：	0
pro_smile：	CC[N+](=C1C=CC(=C(c2ccc(cc2)[N+](C)(CC)c3cccc(c3)S(=O)(=O)[O-])c4ccccc4S(=O)(=O)[O-])C=C1)Cc5cccc(c5)S(=O)(=O)[O-].c1cc(ccc1/N=N/C2C(=NN(C2=O)c3ccc(cc3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].[NH4+].[NH4+].[OH-].[Na+].[Na+].[Na+]
InChi：	InChI=1S/C37H36N2O9S3.C16H12N4O9S2.2H3N.3Na.H2O/c1-4-38(26-27-10-8-12-33(24-27)49(40,41)42)30-20-16-28(17-21-30)37(35-14-6-7-15-36(35)51(46,47)48)29-18-22-31(23-19-29)39(3,5-2)32-11-9-13-34(25-32)50(43,44)45;21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;;;;/h6-25H,4-5,26H2,1-3H3,(H-2,40,41,42,43,44,45,46,47,48);1-8,13H,(H,22,23)(H,24,25,26)(H,27,28,29);21H3;;;;1H2/q;;;;3+1;/p-3/b37-28-,38-30-;18-17+;;;;;;
InChiKey：	InChIKey=CIVQWMDPFMYJMJ-NIQFWWHLSA-K

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