(4-tert-butylphenyl) 3-cyanobenzenesulfonate

Systemtic Name: (4-tert-butylphenyl) 3-cyanobenzenesulfonate Openeye Name: (4-tert-butylphenyl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (4-tert-butylphenyl) ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H17NO3S/c1-17(2,3)14-7-9-15(10-8-14)21-22(19,20)16-6-4-5-13(11-16)12-18/h4-11H,1-3H3