azanium [[5,6-bis(oxidanyl)-1-benzofuran-2-yl]sulfonylamino]methyl-(4-cyano-3-fluoranyl-phenoxy)phosphinate

Systemtic Name: azanium [[5,6-bis(oxidanyl)-1-benzofuran-2-yl]sulfonylamino]methyl-(4-cyano-3-fluoranyl-phenoxy)phosphinate Openeye Name: ammonium (4-cyano-3-fluoro-phenoxy)-[[(5,6-dihydroxybenzofuran-2-yl)sulfonylamino]methyl]phosphinate CAS Name: ammonium (4-cyano-3-fluorophenoxy)-[[(5,6-dihydroxy-2-benzofuranyl)sulfonylamino]methyl]phosphinate IUPAC Name: azanium (4-cyano-3-fluorophenoxy)-[[(5,6-dihydroxy-1-benzofuran-2-yl)sulfonylamino]methyl]phosphinate Traditional Name: ammonium (4-cyano-3-fluoro-phenoxy)-[[(5,6-dihydroxybenzofuran-2-yl)sulfonylamino]methyl]phosphinate Formula: C16H15FN3O8PS MolecularWeight: 459.342764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OP(=O)(CNS(=O)(=O)C2=CC3=CC(=C(C=C3O2)O)O)[O-])F)C#N.[NH4+]

Isomeric SMILES

C1=CC(=C(C=C1OP(=O)(CNS(=O)(=O)C2=CC3=CC(=C(C=C3O2)O)O)[O-])F)C#N.[NH4+]

InChI

InChI=1S/C16H12FN2O8PS.H3N/c17-12-5-11(2-1-9(12)7-18)27-28(22,23)8-19-29(24,25)16-4-10-3-13(20)14(21)6-15(10)26-16;/h1-6,19-21H,8H2,(H,22,23);1H3