[4-[(E)-[2-(3-bromanylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[2-(3-bromanylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2-(3-bromophenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C23H21BrN2O6S MolecularWeight: 533.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC(=CC=C3)Br)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)COC3=CC(=CC=C3)Br)OC

InChI

InChI=1S/C23H21BrN2O6S/c1-16-6-9-20(10-7-16)33(28,29)32-21-11-8-17(12-22(21)30-2)14-25-26-23(27)15-31-19-5-3-4-18(24)13-19/h3-14H,15H2,1-2H3,(H,26,27)/b25-14+