2-nitrododecan-4-one

Systemtic Name: 2-nitrododecan-4-one Openeye Name: 2-nitrododecan-4-one CAS Name: 2-nitro-4-dodecanone IUPAC Name: 2-nitrododecan-4-one Traditional Name: 2-nitrododecan-4-one Formula: C12H23NO3 MolecularWeight: 229.31592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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