cyanomethyl 2-tert-butylbenzenesulfonate

Systemtic Name: cyanomethyl 2-tert-butylbenzenesulfonate Openeye Name: cyanomethyl 2-tert-butylbenzenesulfonate CAS Name: 2-tert-butylbenzenesulfonic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-tert-butylbenzenesulfonate Traditional Name: 2-tert-butylbenzenesulfonic acid cyanomethyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1S(=O)(=O)OCC#N

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1S(=O)(=O)OCC#N

InChI

InChI=1S/C12H15NO3S/c1-12(2,3)10-6-4-5-7-11(10)17(14,15)16-9-8-13/h4-7H,9H2,1-3H3