(1-oxidanylidene-1-phenyl-butan-2-yl) 4-nitrobenzenesulfonate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 4-nitrobenzenesulfonate Openeye Name: 1-benzoylpropyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid 1-benzoylpropyl ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c1-2-15(16(18)12-6-4-3-5-7-12)23-24(21,22)14-10-8-13(9-11-14)17(19)20/h3-11,15H,2H2,1H3