[4-[[2-(4-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-[[2-(4-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[[2-(4-chlorophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[[2-(4-chlorophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [4-[[2-(4-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[[2-(4-chlorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C22H13ClN2O7S MolecularWeight: 484.86582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H13ClN2O7S/c23-16-5-3-15(4-6-16)21-24-20(22(26)31-21)13-14-1-9-18(10-2-14)32-33(29,30)19-11-7-17(8-12-19)25(27)28/h1-13H