[4-[(E)-[2-(4-tert-butylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [4-[(E)-[2-(4-tert-butylphenoxy)ethanoylhydrazinylidene]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-[[2-(4-tert-butylphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic 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-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-[[2-(4-tert-butylphenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H29N3O8S MolecularWeight: 555.59946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=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)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=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)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O8S/c1-18-6-12-22(15-23(18)30(32)33)39(34,35)38-24-13-7-19(14-25(24)36-5)16-28-29-26(31)17-37-21-10-8-20(9-11-21)27(2,3)4/h6-16H,17H2,1-5H3,(H,29,31)/b28-16+