[2-[[2-(3,4-dimethylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[[2-(3,4-dimethylphenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazono]methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[[2-(3,4-dimethylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazono]methyl]phenyl] ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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)COC3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C=NNC(=O)COC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C24H24N2O5S/c1-17-8-12-22(13-9-17)32(28,29)31-23-7-5-4-6-20(23)15-25-26-24(27)16-30-21-11-10-18(2)19(3)14-21/h4-15H,16H2,1-3H3,(H,26,27)