(4S)-5-methyl-5-nitro-4-(4-nitrophenyl)hexan-2-one

Systemtic Name: (4S)-5-methyl-5-nitro-4-(4-nitrophenyl)hexan-2-one Openeye Name: (4S)-5-methyl-5-nitro-4-(4-nitrophenyl)hexan-2-one CAS Name: (4S)-5-methyl-5-nitro-4-(4-nitrophenyl)-2-hexanone IUPAC Name: (4S)-5-methyl-5-nitro-4-(4-nitrophenyl)hexan-2-one Traditional Name: (4S)-5-methyl-5-nitro-4-(4-nitrophenyl)hexan-2-one Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c1-9(16)8-12(13(2,3)15(19)20)10-4-6-11(7-5-10)14(17)18/h4-7,12H,8H2,1-3H3/t12-/m0/s1