(1S)-1-(4-nitrophenyl)-1-oxidanyl-hexan-3-one

Systemtic Name: (1S)-1-(4-nitrophenyl)-1-oxidanyl-hexan-3-one Openeye Name: (1S)-1-hydroxy-1-(4-nitrophenyl)hexan-3-one CAS Name: (1S)-1-hydroxy-1-(4-nitrophenyl)-3-hexanone IUPAC Name: (1S)-1-hydroxy-1-(4-nitrophenyl)hexan-3-one Traditional Name: (1S)-1-hydroxy-1-(4-nitrophenyl)hexan-3-one Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-2-3-11(14)8-12(15)9-4-6-10(7-5-9)13(16)17/h4-7,12,15H,2-3,8H2,1H3/t12-/m0/s1