(3-cyanophenyl) 2,4,6-tri(propan-2-yl)benzenesulfonate

Systemtic Name: (3-cyanophenyl) 2,4,6-tri(propan-2-yl)benzenesulfonate Openeye Name: (3-cyanophenyl) 2,4,6-triisopropylbenzenesulfonate CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2,4,6-tri(propan-2-yl)benzenesulfonate Traditional Name: 2,4,6-triisopropylbenzenesulfonic acid (3-cyanophenyl) ester Formula: C22H27NO3S MolecularWeight: 385.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=CC=CC(=C2)C#N)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=CC=CC(=C2)C#N)C(C)C

InChI

InChI=1S/C22H27NO3S/c1-14(2)18-11-20(15(3)4)22(21(12-18)16(5)6)27(24,25)26-19-9-7-8-17(10-19)13-23/h7-12,14-16H,1-6H3