(4-tert-butyl-2-nitro-phenyl) benzenesulfonate

Systemtic Name: (4-tert-butyl-2-nitro-phenyl) benzenesulfonate Openeye Name: (4-tert-butyl-2-nitro-phenyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-tert-butyl-2-nitrophenyl) ester IUPAC Name: (4-tert-butyl-2-nitrophenyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-tert-butyl-2-nitro-phenyl) 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=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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