1-(5-butyl-2-methyl-5-nitro-2-oxidanyl-cyclohexyl)ethanone

Systemtic Name: 1-(5-butyl-2-methyl-5-nitro-2-oxidanyl-cyclohexyl)ethanone Openeye Name: 1-(5-butyl-2-hydroxy-2-methyl-5-nitro-cyclohexyl)ethanone CAS Name: 1-(5-butyl-2-hydroxy-2-methyl-5-nitrocyclohexyl)ethanone IUPAC Name: 1-(5-butyl-2-hydroxy-2-methyl-5-nitrocyclohexyl)ethanone Traditional Name: 1-(5-butyl-2-hydroxy-2-methyl-5-nitro-cyclohexyl)ethanone Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(C(C1)C(=O)C)(C)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1(CCC(C(C1)C(=O)C)(C)O)[N+](=O)[O-]

InChI

InChI=1S/C13H23NO4/c1-4-5-6-13(14(17)18)8-7-12(3,16)11(9-13)10(2)15/h11,16H,4-9H2,1-3H3