(4-cyanophenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-cyanophenyl) 4-nitrobenzenesulfonate Openeye Name: (4-cyanophenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-cyanophenyl) ester Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O5S/c14-9-10-1-5-12(6-2-10)20-21(18,19)13-7-3-11(4-8-13)15(16)17/h1-8H