(2-oxidanylidene-4-phenyl-butyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-oxidanylidene-4-phenyl-butyl) 4-nitrobenzenesulfonate Openeye Name: (2-oxo-4-phenyl-butyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-oxo-4-phenylbutyl) ester IUPAC Name: (2-oxo-4-phenylbutyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-keto-4-phenyl-butyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c18-15(9-6-13-4-2-1-3-5-13)12-23-24(21,22)16-10-7-14(8-11-16)17(19)20/h1-5,7-8,10-11H,6,9,12H2