(4-tert-butyl-2-methyl-phenyl) 2-nitrobenzenesulfonate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-nitrobenzenesulfonate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C17H19NO5S MolecularWeight: 349.40146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H19NO5S/c1-12-11-13(17(2,3)4)9-10-15(12)23-24(21,22)16-8-6-5-7-14(16)18(19)20/h5-11H,1-4H3