(2S)-2-[(R)-(4-nitrophenyl)-oxidanyl-methyl]hexanal

Systemtic Name: (2S)-2-[(R)-(4-nitrophenyl)-oxidanyl-methyl]hexanal Openeye Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]hexanal CAS Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]hexanal IUPAC Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]hexanal Traditional Name: (2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]hexanal Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-2-3-4-11(9-15)13(16)10-5-7-12(8-6-10)14(17)18/h5-9,11,13,16H,2-4H2,1H3/t11-,13+/m1/s1