(4-tert-butylphenyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-tert-butylphenyl) 4-nitrobenzenesulfonate Openeye Name: (4-tert-butylphenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-tert-butylphenyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO5S/c1-16(2,3)12-4-8-14(9-5-12)22-23(20,21)15-10-6-13(7-11-15)17(18)19/h4-11H,1-3H3