(3R)-3-[(1S)-2-nitro-1-phenyl-ethyl]thian-4-one

Systemtic Name: (3R)-3-[(1S)-2-nitro-1-phenyl-ethyl]thian-4-one Openeye Name: (3R)-3-[(1S)-2-nitro-1-phenyl-ethyl]tetrahydrothiopyran-4-one CAS Name: (3R)-3-[(1S)-2-nitro-1-phenylethyl]-4-thianone IUPAC Name: (3R)-3-[(1S)-2-nitro-1-phenylethyl]thian-4-one Traditional Name: (3R)-3-[(1S)-2-nitro-1-phenyl-ethyl]tetrahydrothiopyran-4-one Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(C1=O)C(C[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C1CSC[C@@H](C1=O)[C@H](C[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C13H15NO3S/c15-13-6-7-18-9-12(13)11(8-14(16)17)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/t11-,12-/m1/s1