[2-chloranyl-6-methoxy-4-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-chloranyl-6-methoxy-4-[(E)-(phenylcarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(benzoylhydrazono)methyl]-2-chloro-6-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-(benzoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenyl] ester IUPAC Name: [4-[(E)-(benzoylhydrazinylidene)methyl]-2-chloro-6-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-(benzoylhydrazono)methyl]-2-chloro-6-methoxy-phenyl] ester Formula: C22H19ClN2O5S MolecularWeight: 458.91466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)C=NNC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Cl)/C=N/NC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H19ClN2O5S/c1-15-8-10-18(11-9-15)31(27,28)30-21-19(23)12-16(13-20(21)29-2)14-24-25-22(26)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,25,26)/b24-14+