[(2S)-3-methylsulfonyloxy-2-(2-nitro-4-phenylmethoxy-phenyl)propyl] ethanoate

Systemtic Name: [(2S)-3-methylsulfonyloxy-2-(2-nitro-4-phenylmethoxy-phenyl)propyl] ethanoate Openeye Name: [(2S)-2-(4-benzyloxy-2-nitro-phenyl)-3-methylsulfonyloxy-propyl] acetate CAS Name: acetic acid [(2S)-3-methylsulfonyloxy-2-(2-nitro-4-phenylmethoxyphenyl)propyl] ester IUPAC Name: [(2S)-3-methylsulfonyloxy-2-(2-nitro-4-phenylmethoxyphenyl)propyl] acetate Traditional Name: acetic acid [(2S)-2-(4-benzoxy-2-nitro-phenyl)-3-methylsulfonyloxy-propyl] ester Formula: C19H21NO8S MolecularWeight: 423.43694

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(COS(=O)(=O)C)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC[C@@H](COS(=O)(=O)C)C1=C(C=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21NO8S/c1-14(21)26-12-16(13-28-29(2,24)25)18-9-8-17(10-19(18)20(22)23)27-11-15-6-4-3-5-7-15/h3-10,16H,11-13H2,1-2H3/t16-/m0/s1