[4-[(E)-[(2-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-chloranylbenzenesulfonate

Systemtic Name: [4-[(E)-[(2-methylphenyl)carbonylhydrazinylidene]methyl]phenyl] 4-chloranylbenzenesulfonate Openeye Name: [4-[(E)-[(2-methylbenzoyl)hydrazono]methyl]phenyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [4-[(E)-[[(2-methylphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [4-[(E)-(o-toluoylhydrazono)methyl]phenyl] ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NN=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)N/N=C/C2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN2O4S/c1-15-4-2-3-5-20(15)21(25)24-23-14-16-6-10-18(11-7-16)28-29(26,27)19-12-8-17(22)9-13-19/h2-14H,1H3,(H,24,25)/b23-14+