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

Systemtic Name: [2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(2-pyridylhydrazono)methyl]phenyl] 2,5-dimethylbenzenesulfonate CAS Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-(2-pyridinylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenyl] 2,5-dimethylbenzenesulfonate Traditional Name: 2,5-dimethylbenzenesulfonic acid [2-methoxy-4-[(E)-(2-pyridylhydrazono)methyl]phenyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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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=NNC3=CC=CC=N3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC3=CC=CC=N3)OC

InChI

InChI=1S/C21H21N3O4S/c1-15-7-8-16(2)20(12-15)29(25,26)28-18-10-9-17(13-19(18)27-3)14-23-24-21-6-4-5-11-22-21/h4-14H,1-3H3,(H,22,24)/b23-14+