[2-[(E)-[(3-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-[(3-chlorophenyl)carbonylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-[[(3-chlorophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-[(3-chlorobenzoyl)hydrazono]methyl]phenyl] ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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