[4-[(E)-[2-(4-tert-butylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-[2-(4-tert-butylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-[[2-(4-tert-butylphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2-(4-tert-butylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-[[2-(4-tert-butylphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H30N2O6S MolecularWeight: 510.6019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=O)COC3=CC=C(C=C3)C(C)(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)COC3=CC=C(C=C3)C(C)(C)C)OC

InChI

InChI=1S/C27H30N2O6S/c1-19-6-13-23(14-7-19)36(31,32)35-24-15-8-20(16-25(24)33-5)17-28-29-26(30)18-34-22-11-9-21(10-12-22)27(2,3)4/h6-17H,18H2,1-5H3,(H,29,30)/b28-17+