(5S)-1,1-dimethoxy-5-(4-nitrophenyl)-5-oxidanyl-pentan-3-one

Systemtic Name: (5S)-1,1-dimethoxy-5-(4-nitrophenyl)-5-oxidanyl-pentan-3-one Openeye Name: (1S)-1-hydroxy-5,5-dimethoxy-1-(4-nitrophenyl)pentan-3-one CAS Name: (1S)-1-hydroxy-5,5-dimethoxy-1-(4-nitrophenyl)-3-pentanone IUPAC Name: (1S)-1-hydroxy-5,5-dimethoxy-1-(4-nitrophenyl)pentan-3-one Traditional Name: (1S)-1-hydroxy-5,5-dimethoxy-1-(4-nitrophenyl)pentan-3-one Formula: C13H17NO6 MolecularWeight: 283.27718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6/c1-19-13(20-2)8-11(15)7-12(16)9-3-5-10(6-4-9)14(17)18/h3-6,12-13,16H,7-8H2,1-2H3/t12-/m0/s1