(2-cyanophenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate

Systemtic Name: (2-cyanophenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate Openeye Name: (2-cyanophenyl) 4-tert-butyl-2,6-dimethyl-benzenesulfonate CAS Name: 4-tert-butyl-2,6-dimethylbenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-tert-butyl-2,6-dimethylbenzenesulfonate Traditional Name: 4-tert-butyl-2,6-dimethyl-benzenesulfonic acid (2-cyanophenyl) ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)OC2=CC=CC=C2C#N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)OC2=CC=CC=C2C#N)C)C(C)(C)C

InChI

InChI=1S/C19H21NO3S/c1-13-10-16(19(3,4)5)11-14(2)18(13)24(21,22)23-17-9-7-6-8-15(17)12-20/h6-11H,1-5H3