(2-cyano-2-methyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-cyano-2-methyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2-cyano-2-methyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-cyano-2-methylpropyl) ester IUPAC Name: (2-cyano-2-methylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-cyano-2-methyl-propyl) ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)C#N

InChI

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