(2-propan-2-ylphenyl) 4-cyanobenzenesulfonate

Systemtic Name: (2-propan-2-ylphenyl) 4-cyanobenzenesulfonate Openeye Name: (2-isopropylphenyl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic acid (2-propan-2-ylphenyl) ester IUPAC Name: (2-propan-2-ylphenyl) 4-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid o-cumenyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15NO3S/c1-12(2)15-5-3-4-6-16(15)20-21(18,19)14-9-7-13(11-17)8-10-14/h3-10,12H,1-2H3