[(2S)-1-nitrohexan-2-yl]benzene

Systemtic Name: [(2S)-1-nitrohexan-2-yl]benzene Openeye Name: [(1S)-1-(nitromethyl)pentyl]benzene CAS Name: [(2S)-1-nitrohexan-2-yl]benzene IUPAC Name: [(2S)-1-nitrohexan-2-yl]benzene Traditional Name: [(1S)-1-(nitromethyl)pentyl]benzene Formula: C12H17NO2 MolecularWeight: 207.26888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-2-3-7-12(10-13(14)15)11-8-5-4-6-9-11/h4-6,8-9,12H,2-3,7,10H2,1H3/t12-/m1/s1