(4-cyano-2-methoxy-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-nitrobenzenesulfonate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-cyano-2-methoxy-phenyl) ester Formula: C14H10N2O6S MolecularWeight: 334.304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H10N2O6S/c1-21-14-8-10(9-15)2-7-13(14)22-23(19,20)12-5-3-11(4-6-12)16(17)18/h2-8H,1H3