[4-(3-oxidanylidenebutyl)phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-(3-ketobutyl)phenyl] ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO6S/c1-12(18)2-3-13-4-8-15(9-5-13)23-24(21,22)16-10-6-14(7-11-16)17(19)20/h4-11H,2-3H2,1H3