(2-tert-butylphenyl) 3-nitrobenzenesulfonate

Systemtic Name: (2-tert-butylphenyl) 3-nitrobenzenesulfonate Openeye Name: (2-tert-butylphenyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (2-tert-butylphenyl) ester IUPAC Name: (2-tert-butylphenyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (2-tert-butylphenyl) ester Formula: C16H17NO5S MolecularWeight: 335.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

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