ci 15580 ci 15580 5850-87-3

ci 15580 ci 15580

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iupac名称 IUPAC Name :barium(2+);2-methyl-4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate

INCHI InChI :INCHI InChI=1/2C17H14N2O4S.ba Ba/c2*1-11-10-13(7-9-16(11)24(21,22)23)18-19-17-14-5-3-2-4-12(14)6-8-15(17)20;/h2*2-10,18H,1h3 1H3,(H,21,22,23);/q;;+2/p-2/b2*19-17+;

印地 Std.InChI: INCHI InChI=1S/2C17H14N2O4S.ba Ba/c2*1-11-10-13(7-9-16(11)24(21,22)23)18-19-17-14-5-3-2-4-12(14)6-8-15(17)20;/h2*2-10,18H,1h3 1H3,(H,21,22,23);/q;;+2/p-2/b2*19-17+;

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INCHI基 InChIKey :PWTBDGVCDRNYRU-IQLUAGNBBG

标准奇奇 Std.InChIKey: PWTBDGVCDRNYRU-GKJZQFSSSA-L

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微笑 SMILES :[ba Ba+2].[o- O-]S(= o =O)(= o =O)c1c(cc cc(cc cc1)N\N=C2/c3cc cccc ccc3\c = c C=C/C2= o =O)C.[o- O-]S(= o =O)(= o =O)c1c(cc cc(cc cc1)N/N=C2\c3cc cccc ccc3\c = c C=C/C2= o =O)C