ci 42080

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IUPAC Name :sodium;4-[[4-[benzyl(ethyl)amino]phenyl]-[4-[benzyl(ethyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]methyl]benzene-1,3-disulfonate
InChI :InChI=1/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
Std.InChI: InChI=1S/C37H36N2O6S2.Na/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29;/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45);/q;+1/p-1
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InChIKey :FTUYQIPAPWPHNC-REWHXWOFAC
Std.InChIKey: FTUYQIPAPWPHNC-UHFFFAOYSA-M
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SMILES :[Na+].[O-]S(=O)(=O)c1ccc(c(c1)S([O-])(=O)=O)C(=C\3/C=C\C(=[N+](\CC)Cc2ccccc2)/C=C/3)/c5ccc(N(Cc4ccccc4)CC)cc5
MDL: MFCD00044440