[(1R,2S)-1-(2-nitrophenoxy)-3-oxidanyl-1-phenyl-propan-2-yl] methanesulfonate

Systemtic Name: [(1R,2S)-1-(2-nitrophenoxy)-3-oxidanyl-1-phenyl-propan-2-yl] methanesulfonate Openeye Name: [(1S,2R)-1-(hydroxymethyl)-2-(2-nitrophenoxy)-2-phenyl-ethyl] methanesulfonate CAS Name: methanesulfonic acid [(1R,2S)-3-hydroxy-1-(2-nitrophenoxy)-1-phenylpropan-2-yl] ester IUPAC Name: [(1R,2S)-3-hydroxy-1-(2-nitrophenoxy)-1-phenylpropan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2R)-1-methylol-2-(2-nitrophenoxy)-2-phenyl-ethyl] ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CO)C(C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)O[C@@H](CO)[C@@H](C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17NO7S/c1-25(21,22)24-15(11-18)16(12-7-3-2-4-8-12)23-14-10-6-5-9-13(14)17(19)20/h2-10,15-16,18H,11H2,1H3/t15-,16+/m0/s1