(2-cyanophenyl) 4-propan-2-ylbenzenesulfonate

Systemtic Name: (2-cyanophenyl) 4-propan-2-ylbenzenesulfonate Openeye Name: (2-cyanophenyl) 4-isopropylbenzenesulfonate CAS Name: 4-propan-2-ylbenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-propan-2-ylbenzenesulfonate Traditional Name: 4-isopropylbenzenesulfonic acid (2-cyanophenyl) ester Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C#N

InChI

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