[2-methoxy-6-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-6-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-methoxy-6-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-methoxy-6-[(E)-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-6-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-methoxy-6-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)C=NNC(=O)C3=CC=CC=C3N4C=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2OC)/C=N/NC(=O)C3=CC=CC=C3N4C=CC=C4

InChI

InChI=1S/C26H23N3O5S/c1-19-12-14-21(15-13-19)35(31,32)34-25-20(8-7-11-24(25)33-2)18-27-28-26(30)22-9-3-4-10-23(22)29-16-5-6-17-29/h3-18H,1-2H3,(H,28,30)/b27-18+