[4-[(E)-[(3-iodanylphenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[(E)-[(3-iodanylphenyl)carbonylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(E)-[(3-iodobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(E)-[[(3-iodophenyl)-oxomethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[(3-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(E)-[(3-iodobenzoyl)hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C21H16IN3O7S MolecularWeight: 581.33711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)I)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)I)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16IN3O7S/c1-31-20-11-14(13-23-24-21(26)15-3-2-4-16(22)12-15)5-10-19(20)32-33(29,30)18-8-6-17(7-9-18)25(27)28/h2-13H,1H3,(H,24,26)/b23-13+