(4-cyanophenyl) 2,3,5,6-tetramethylbenzenesulfonate

Systemtic Name: (4-cyanophenyl) 2,3,5,6-tetramethylbenzenesulfonate Openeye Name: (4-cyanophenyl) 2,3,5,6-tetramethylbenzenesulfonate CAS Name: 2,3,5,6-tetramethylbenzenesulfonic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2,3,5,6-tetramethylbenzenesulfonate Traditional Name: 2,3,5,6-tetramethylbenzenesulfonic acid (4-cyanophenyl) ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=CC=C(C=C2)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)OC2=CC=C(C=C2)C#N)C)C

InChI

InChI=1S/C17H17NO3S/c1-11-9-12(2)14(4)17(13(11)3)22(19,20)21-16-7-5-15(10-18)6-8-16/h5-9H,1-4H3