cyanomethyl benzenesulfonate

Systemtic Name: cyanomethyl benzenesulfonate Openeye Name: cyanomethyl benzenesulfonate CAS Name: benzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl benzenesulfonate Traditional Name: benzenesulfonic acid cyanomethyl ester Formula: C8H7NO3S MolecularWeight: 197.21108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OCC#N

InChI

InChI=1S/C8H7NO3S/c9-6-7-12-13(10,11)8-4-2-1-3-5-8/h1-5H,7H2