ci 15580

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IUPAC Name :barium(2+);2-methyl-4-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
InChI :InChI=1/2C17H14N2O4S.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,(H,21,22,23);/q;;+2/p-2/b2*19-17+;
Std.InChI: InChI=1S/2C17H14N2O4S.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,(H,21,22,23);/q;;+2/p-2/b2*19-17+;
InChIKey :PWTBDGVCDRNYRU-IQLUAGNBBG
Std.InChIKey: PWTBDGVCDRNYRU-GKJZQFSSSA-L
SMILES :[Ba+2].[O-]S(=O)(=O)c1c(cc(cc1)N\N=C2/c3ccccc3\C=C/C2=O)C.[O-]S(=O)(=O)c1c(cc(cc1)N/N=C2\c3ccccc3\C=C/C2=O)C