(3S)-3-(nitromethyl)-1-phenyl-hexan-1-one

Systemtic Name: (3S)-3-(nitromethyl)-1-phenyl-hexan-1-one Openeye Name: (3S)-3-(nitromethyl)-1-phenyl-hexan-1-one CAS Name: (3S)-3-(nitromethyl)-1-phenyl-1-hexanone IUPAC Name: (3S)-3-(nitromethyl)-1-phenylhexan-1-one Traditional Name: (3S)-3-(nitromethyl)-1-phenyl-hexan-1-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-2-6-11(10-14(16)17)9-13(15)12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3/t11-/m0/s1