iron(3+); 4-[3-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate

Systemtic Name: iron(3+); 4-[3-methyl-4-[(5-nitro-2-oxidanidyl-phenyl)diazenyl]-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate Openeye Name: ferric 4-[3-methyl-4-(5-nitro-2-oxido-phenyl)azo-5-oxido-pyrazol-1-yl]benzenesulfonate CAS Name: iron(3+); 4-[3-methyl-4-(5-nitro-2-oxidophenyl)azo-5-oxido-1-pyrazolyl]benzenesulfonate IUPAC Name: iron(3+); 4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate Traditional Name: ferric 4-[3-methyl-4-(5-nitro-2-oxido-phenyl)azo-5-oxido-pyrazol-1-yl]besylate Formula: C16H10FeN5O7S MolecularWeight: 472.1899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/C16H13N5O7S.Fe/c1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;/h2-8,22-23H,1H3,(H,26,27,28);/q;+3/p-3