(3-tert-butylphenyl) 3-nitrobenzenesulfonate

Systemtic Name: (3-tert-butylphenyl) 3-nitrobenzenesulfonate Openeye Name: (3-tert-butylphenyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (3-tert-butylphenyl) ester IUPAC Name: (3-tert-butylphenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (3-tert-butylphenyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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