cyanomethyl 4-nitrobenzenesulfonate

Systemtic Name: cyanomethyl 4-nitrobenzenesulfonate Openeye Name: cyanomethyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid cyanomethyl ester Formula: C8H6N2O5S MolecularWeight: 242.20864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCC#N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCC#N

InChI

InChI=1S/C8H6N2O5S/c9-5-6-15-16(13,14)8-3-1-7(2-4-8)10(11)12/h1-4H,6H2