(4-tert-butyl-2-methyl-phenyl) 3-cyanobenzenesulfonate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-cyanobenzenesulfonate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H19NO3S/c1-13-10-15(18(2,3)4)8-9-17(13)22-23(20,21)16-7-5-6-14(11-16)12-19/h5-11H,1-4H3