3-[(2S)-1-nitroheptan-2-yl]pentane-2,4-dione

Systemtic Name: 3-[(2S)-1-nitroheptan-2-yl]pentane-2,4-dione Openeye Name: 3-[(1S)-1-(nitromethyl)hexyl]pentane-2,4-dione CAS Name: 3-[(2S)-1-nitroheptan-2-yl]pentane-2,4-dione IUPAC Name: 3-[(2S)-1-nitroheptan-2-yl]pentane-2,4-dione Traditional Name: 3-[(1S)-1-(nitromethyl)hexyl]pentane-2,4-dione Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[N+](=O)[O-])C(C(=O)C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H21NO4/c1-4-5-6-7-11(8-13(16)17)12(9(2)14)10(3)15/h11-12H,4-8H2,1-3H3/t11-/m1/s1