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

Systemtic Name: [2-iodanyl-6-methoxy-4-[(E)-[(2-pyrrol-1-ylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-iodo-6-methoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-iodo-6-methoxy-4-[(E)-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-iodo-6-methoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-iodo-6-methoxy-4-[(E)-[(2-pyrrol-1-ylbenzoyl)hydrazono]methyl]phenyl] ester Formula: C26H22IN3O5S MolecularWeight: 615.43945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)C=NNC(=O)C3=CC=CC=C3N4C=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2I)/C=N/NC(=O)C3=CC=CC=C3N4C=CC=C4)OC

InChI

InChI=1S/C26H22IN3O5S/c1-18-9-11-20(12-10-18)36(32,33)35-25-22(27)15-19(16-24(25)34-2)17-28-29-26(31)21-7-3-4-8-23(21)30-13-5-6-14-30/h3-17H,1-2H3,(H,29,31)/b28-17+