(1-cyano-2,2-dimethyl-propyl) benzenesulfonate

Systemtic Name: (1-cyano-2,2-dimethyl-propyl) benzenesulfonate Openeye Name: (1-cyano-2,2-dimethyl-propyl) benzenesulfonate CAS Name: benzenesulfonic acid (1-cyano-2,2-dimethylpropyl) ester IUPAC Name: (1-cyano-2,2-dimethylpropyl) benzenesulfonate Traditional Name: benzenesulfonic acid (1-cyano-2,2-dimethyl-propyl) ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C#N)OS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)C(C#N)OS(=O)(=O)C1=CC=CC=C1

InChI

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