[4-[(E)-(2-phenylethanoylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-(2-phenylethanoylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[(2-phenylacetyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[(1-oxo-2-phenylethyl)hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[(2-phenylacetyl)hydrazono]methyl]phenyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=NNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-17-7-13-21(14-8-17)29(26,27)28-20-11-9-19(10-12-20)16-23-24-22(25)15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,24,25)/b23-16+