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

Systemtic Name: [3-[(E)-[(3-iodanylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [3-[(E)-[(3-iodobenzoyl)hydrazono]methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [3-[(E)-[[(3-iodophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[(3-iodobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [3-[(E)-[(3-iodobenzoyl)hydrazono]methyl]phenyl] ester Formula: C20H14IN3O6S MolecularWeight: 551.31113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14IN3O6S/c21-16-5-2-4-15(12-16)20(25)23-22-13-14-3-1-6-18(11-14)30-31(28,29)19-9-7-17(8-10-19)24(26)27/h1-13H,(H,23,25)/b22-13+