[2-bromanyl-4-[(E)-[(3-chlorophenyl)carbonylhydrazinylidene]methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-bromanyl-4-[(E)-[(3-chlorophenyl)carbonylhydrazinylidene]methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-4-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-4-[(E)-[[(3-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-4-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]-6-ethoxy-phenyl] ester Formula: C23H20BrClN2O5S MolecularWeight: 551.8373

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC(=CC=C2)Cl)Br)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=O)C2=CC(=CC=C2)Cl)Br)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H20BrClN2O5S/c1-3-31-21-12-16(14-26-27-23(28)17-5-4-6-18(25)13-17)11-20(24)22(21)32-33(29,30)19-9-7-15(2)8-10-19/h4-14H,3H2,1-2H3,(H,27,28)/b26-14+