(2-cyanophenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-cyanophenyl) 4-nitrobenzenesulfonate Openeye Name: (2-cyanophenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-cyanophenyl) ester Formula: C13H8N2O5S MolecularWeight: 304.27802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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