[3-(phenylsulfonyl)phenyl] 2-nitrobutanoate

Systemtic Name: [3-(phenylsulfonyl)phenyl] 2-nitrobutanoate Openeye Name: [3-(benzenesulfonyl)phenyl] 2-nitrobutanoate CAS Name: 2-nitrobutanoic acid [3-(benzenesulfonyl)phenyl] ester IUPAC Name: [3-(benzenesulfonyl)phenyl] 2-nitrobutanoate Traditional Name: 2-nitrobutyric acid (3-besylphenyl) ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC1=CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)OC1=CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

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