[(2S,5S)-5-[1-nitro-1-(phenylsulfonyl)ethyl]-2,5-dihydrofuran-2-yl] benzoate

Systemtic Name: [(2S,5S)-5-[1-nitro-1-(phenylsulfonyl)ethyl]-2,5-dihydrofuran-2-yl] benzoate Openeye Name: [(2S,5S)-5-[1-(benzenesulfonyl)-1-nitro-ethyl]-2,5-dihydrofuran-2-yl] benzoate CAS Name: benzoic acid [(2S,5S)-5-[1-(benzenesulfonyl)-1-nitroethyl]-2,5-dihydrofuran-2-yl] ester IUPAC Name: [(2S,5S)-5-[1-(benzenesulfonyl)-1-nitroethyl]-2,5-dihydrofuran-2-yl] benzoate Traditional Name: benzoic acid [(2S,5S)-5-(1-besyl-1-nitro-ethyl)-2,5-dihydrofuran-2-yl] ester Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C=CC(O1)OC(=O)C2=CC=CC=C2)([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC([C@@H]1C=C[C@@H](O1)OC(=O)C2=CC=CC=C2)([N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO7S/c1-19(20(22)23,28(24,25)15-10-6-3-7-11-15)16-12-13-17(26-16)27-18(21)14-8-4-2-5-9-14/h2-13,16-17H,1H3/t16-,17-,19?/m0/s1