(4S)-5-methyl-5-nitro-4-phenyl-hexan-2-one

Systemtic Name: (4S)-5-methyl-5-nitro-4-phenyl-hexan-2-one Openeye Name: (4S)-5-methyl-5-nitro-4-phenyl-hexan-2-one CAS Name: (4S)-5-methyl-5-nitro-4-phenyl-2-hexanone IUPAC Name: (4S)-5-methyl-5-nitro-4-phenylhexan-2-one Traditional Name: (4S)-5-methyl-5-nitro-4-phenyl-hexan-2-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-10(15)9-12(13(2,3)14(16)17)11-7-5-4-6-8-11/h4-8,12H,9H2,1-3H3/t12-/m0/s1