[4-(3-oxidanylidenebutyl)phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-(3-oxidanylidenebutyl)phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-(3-oxobutyl)phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-(3-oxobutyl)phenyl] ester IUPAC Name: [4-(3-oxobutyl)phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c1-12(18)6-7-13-8-10-14(11-9-13)23-24(21,22)16-5-3-2-4-15(16)17(19)20/h2-5,8-11H,6-7H2,1H3