(4R,5S)-5-nitro-4-phenyl-hexan-2-one

Systemtic Name: (4R,5S)-5-nitro-4-phenyl-hexan-2-one Openeye Name: (4R,5S)-5-nitro-4-phenyl-hexan-2-one CAS Name: (4R,5S)-5-nitro-4-phenyl-2-hexanone IUPAC Name: (4R,5S)-5-nitro-4-phenylhexan-2-one Traditional Name: (4R,5S)-5-nitro-4-phenyl-hexan-2-one Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-9(14)8-12(10(2)13(15)16)11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3/t10-,12-/m0/s1