ci 45220

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IUPAC Name :sodium;4-[3-(ethylamino)-6-ethylazaniumylidene-2,7-dimethylxanthen-9-yl]benzene-1,3-disulfonate
InChI :InChI=1/C25H26N2O7S2.Na/c1-5-26-20-12-22-18(9-14(20)3)25(19-10-15(4)21(27-6-2)13-23(19)34-22)17-8-7-16(35(28,29)30)11-24(17)36(31,32)33;/h7-13,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1/b27-21+;
Std.InChI: InChI=1S/C25H26N2O7S2.Na/c1-5-26-20-12-22-18(9-14(20)3)25(19-10-15(4)21(27-6-2)13-23(19)34-22)17-8-7-16(35(28,29)30)11-24(17)36(31,32)33;/h7-13,26H,5-6H2,1-4H3,(H,28,29,30)(H,31,32,33);/q;+1/p-1/b27-21+;
InChIKey :NWWFZBYHUXCUDI-IDIHVOESBO
Std.InChIKey: NWWFZBYHUXCUDI-XTNAOULASA-M
SMILES :[Na+].[O-]S(=O)(=O)c4ccc(C=1c3c(OC=2C=1\C=C(/C(=[NH+]/CC)/C=2)C)cc(c(c3)C)NCC)c(c4)S([O-])(=O)=O
MDL: MFCD00213704