[2-methoxy-4-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [4-[(E)-(benzoylhydrazono)methyl]-2-methoxy-phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(benzoylhydrazinylidene)methyl]-2-methoxyphenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [4-[(E)-(benzoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5S/c1-16-9-10-17(2)22(13-16)31(27,28)30-20-12-11-18(14-21(20)29-3)15-24-25-23(26)19-7-5-4-6-8-19/h4-15H,1-3H3,(H,25,26)/b24-15+