dipotassium 4-[4-chloranyl-5-(3-fluoranyl-4-methoxy-phenyl)imidazol-1-yl]-N-phosphonato-benzenesulfonamide

Systemtic Name: dipotassium 4-[4-chloranyl-5-(3-fluoranyl-4-methoxy-phenyl)imidazol-1-yl]-N-phosphonato-benzenesulfonamide Openeye Name: dipotassium 4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-yl]-N-phosphonato-benzenesulfonamide CAS Name: dipotassium 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)-1-imidazolyl]-N-phosphonatobenzenesulfonamide IUPAC Name: dipotassium 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]-N-phosphonatobenzenesulfonamide Traditional Name: dipotassium 4-[4-chloro-5-(3-fluoro-4-methoxy-phenyl)imidazol-1-yl]-N-phosphonato-benzenesulfonamide Formula: C16H12ClFK2N3O6PS MolecularWeight: 537.969744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)NP(=O)([O-])[O-])Cl)F.[K+].[K+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)NP(=O)([O-])[O-])Cl)F.[K+].[K+]

InChI

InChI=1S/C16H14ClFN3O6PS.2K/c1-27-14-7-2-10(8-13(14)18)15-16(17)19-9-21(15)11-3-5-12(6-4-11)29(25,26)20-28(22,23)24;;/h2-9H,1H3,(H3,20,22,23,24);;/q;2*+1/p-2