[2-[(E)-[2-(2-methylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-[2-(2-methylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-[[2-(2-methylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-[[2-(2-methylphenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC(=O)COC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2/C=N/NC(=O)COC3=CC=CC=C3C

InChI

InChI=1S/C23H22N2O5S/c1-17-11-13-20(14-12-17)31(27,28)30-22-10-6-4-8-19(22)15-24-25-23(26)16-29-21-9-5-3-7-18(21)2/h3-15H,16H2,1-2H3,(H,25,26)/b24-15+