2-nitrododecan-5-one

Systemtic Name: 2-nitrododecan-5-one Openeye Name: 2-nitrododecan-5-one CAS Name: 2-nitro-5-dodecanone IUPAC Name: 2-nitrododecan-5-one Traditional Name: 2-nitrododecan-5-one Formula: C12H23NO3 MolecularWeight: 229.31592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CCC(C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)CCC(C)[N+](=O)[O-]

InChI

InChI=1S/C12H23NO3/c1-3-4-5-6-7-8-12(14)10-9-11(2)13(15)16/h11H,3-10H2,1-2H3