(3R,4S,5S)-3-hexyl-5-methoxy-4-nitro-cyclohexan-1-one

Systemtic Name: (3R,4S,5S)-3-hexyl-5-methoxy-4-nitro-cyclohexan-1-one Openeye Name: (3R,4S,5S)-3-hexyl-5-methoxy-4-nitro-cyclohexanone CAS Name: (3R,4S,5S)-3-hexyl-5-methoxy-4-nitro-1-cyclohexanone IUPAC Name: (3R,4S,5S)-3-hexyl-5-methoxy-4-nitrocyclohexan-1-one Traditional Name: (3R,4S,5S)-3-hexyl-5-methoxy-4-nitro-cyclohexanone Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(=O)CC(C1[N+](=O)[O-])OC

Isomeric SMILES

CCCCCC[C@@H]1CC(=O)C[C@@H]([C@H]1[N+](=O)[O-])OC

InChI

InChI=1S/C13H23NO4/c1-3-4-5-6-7-10-8-11(15)9-12(18-2)13(10)14(16)17/h10,12-13H,3-9H2,1-2H3/t10-,12+,13+/m1/s1