ci 50420 ci 50420 8005-03-6

ci 50420 ci 50420

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iupac名称 IUPAC Name :disodium;(6E)-4-amino-3-[(4-nitrophenyl)diazenyl]-5-oxo-6-(phenylhydrazinylidene)naphthalene-2,7-disulfonate

INCHI InChI :INCHI InChI=1/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,24H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b26-25+,27-21-;;

印地 Std.InChI: INCHI InChI=1S/C22H16N6O9S2.2Na/c23-19-18-12(11-17(39(35,36)37)21(22(18)29)27-24-13-4-2-1-3-5-13)10-16(38(32,33)34)20(19)26-25-14-6-8-15(9-7-14)28(30)31;;/h1-11,24H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b26-25+,27-21-;;

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INCHI基 InChIKey :HKBVRFLHNUEVRO-FNVBKYAYBG

标准奇奇 Std.InChIKey: HKBVRFLHNUEVRO-HMDKGIQMSA-L

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微笑 SMILES :[Na+].[Na+].[O-][N+](= o =O)c4cc ccc(/N= n =N/c1c(cc cc/3c(c1N)C(= o =O)C(= n =N/Nc2cc cccc ccc2)\C(= c =C\3)S([O-])(= o =O)= o =O)S([O-])(= o =O)= o =O)cc cc4

MDL : mfcd00044681 MFCD00044681