2-phenylpropan-2-yl 4-nitrobenzenesulfonate

Systemtic Name: 2-phenylpropan-2-yl 4-nitrobenzenesulfonate Openeye Name: (1-methyl-1-phenyl-ethyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid 2-phenylpropan-2-yl ester IUPAC Name: 2-phenylpropan-2-yl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid cumyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5S/c1-15(2,12-6-4-3-5-7-12)21-22(19,20)14-10-8-13(9-11-14)16(17)18/h3-11H,1-2H3