[2-methoxy-4-[(E)-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylhydrazinylidene]methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]hydrazono]methyl]-2-methoxy-phenyl] ester Formula: C27H29N3O8S MolecularWeight: 555.59946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])OC

InChI

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