ci 15525

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
IUPAC Name :calcium;disodium;2-chloro-5-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]-4-sulfonatobenzoate
InChI :InChI=1/2C17H11ClN2O6S.Ca.2Na/c2*18-12-8-15(27(24,25)26)13(7-11(12)17(22)23)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;;;/h2*1-8,19H,(H,22,23)(H,24,25,26);;;/q;;+2;2*+1/p-4/b2*20-16+;;;
Std.InChI: InChI=1S/2C17H11ClN2O6S.Ca.2Na/c2*18-12-8-15(27(24,25)26)13(7-11(12)17(22)23)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;;;/h2*1-8,19H,(H,22,23)(H,24,25,26);;;/q;;+2;2*+1/p-4/b2*20-16+;;;
InChIKey :XQNJGOIUVORJSE-ABZFJDHFBP
Std.InChIKey: XQNJGOIUVORJSE-BVGCOCJXSA-J
SMILES :[Ca+2].[Na+].[Na+].[O-]C(=O)c1cc(c(cc1Cl)S([O-])(=O)=O)N\N=C2/c3ccccc3\C=C/C2=O.[O-]C(=O)c1cc(c(cc1Cl)S([O-])(=O)=O)N/N=C2\c3ccccc3\C=C/C2=O