ci 42170
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INCHI InChI :INCHI InChI=1/C39H39ClN2O6S2.Na/c1-5-41(25-29-11-9-13-33(23-29)49(43,44)45)31-17-19-35(27(3)21-31)39(37-15-7-8-16-38(37)40)36-20-18-32(22-28(36)4)42(6-2)26-30-12-10-14-34(24-30)50(46,47)48;/h7-24H,5-6,25-26H2,1-4H3,(h- H-,43,44,45,46,47,48);/q;+1/p-1
印地 Std.InChI: INCHI InChI=1S/C39H39ClN2O6S2.Na/c1-5-41(25-29-11-9-13-33(23-29)49(43,44)45)31-17-19-35(27(3)21-31)39(37-15-7-8-16-38(37)40)36-20-18-32(22-28(36)4)42(6-2)26-30-12-10-14-34(24-30)50(46,47)48;/h7-24H,5-6,25-26H2,1-4H3,(h- H-,43,44,45,46,47,48);/q;+1/p-1
INCHI基 InChIKey :AYQGOOLZDOHXAY-REWHXWOFAW
标准奇奇 Std.InChIKey: AYQGOOLZDOHXAY-UHFFFAOYSA-M
微笑 SMILES :[Na+].[o- O-]S(= o =O)(= o =O)c1cccc(c1)cn CN(c2ccc(c(c2)C)/C(=C4/c = c C=C\C(=[N+](/cc CC)Cc3cccc(c3)S([o- O-])(= o =O)= o =O)\c = c C=C4C)c5ccccc5Cl)cc CC