[2-[(E)-[(4-chlorophenyl)carbonylhydrazinylidene]methyl]-6-methoxy-phenyl] benzenesulfonate

Systemtic Name: [2-[(E)-[(4-chlorophenyl)carbonylhydrazinylidene]methyl]-6-methoxy-phenyl] benzenesulfonate Openeye Name: [2-[(E)-[(4-chlorobenzoyl)hydrazono]methyl]-6-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[(E)-[[(4-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]-6-methoxyphenyl] ester IUPAC Name: [2-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(E)-[(4-chlorobenzoyl)hydrazono]methyl]-6-methoxy-phenyl] ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)C=NNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)/C=N/NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O5S/c1-28-19-9-5-6-16(14-23-24-21(25)15-10-12-17(22)13-11-15)20(19)29-30(26,27)18-7-3-2-4-8-18/h2-14H,1H3,(H,24,25)/b23-14+