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azanium 5-nitrododecan-4-one

azanium 5-nitrododecan-4-one

Systemtic Name:azanium 5-nitrododecan-4-one
Openeye Name:ammonium 5-nitrododecan-4-one
CAS Name:ammonium 5-nitro-4-dodecanone
IUPAC Name:azanium 5-nitrododecan-4-one
Traditional Name:ammonium 5-nitrododecan-4-one
Formula: C12H27N2O3+
MolecularWeight: 247.35438
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)CCC)[N+](=O)[O-].[NH4+]


Isomeric SMILES

CCCCCCCC(C(=O)CCC)[N+](=O)[O-].[NH4+]


InChI

InChI=1S/C12H23NO3.H3N/c1-3-5-6-7-8-10-11(13(15)16)12(14)9-4-2;/h11H,3-10H2,1-2H3;1H3/p+1


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