[1-(4-nitrophenoxy)-1-oxidanylidene-henicosan-6-yl]azanium bromide

Systemtic Name: [1-(4-nitrophenoxy)-1-oxidanylidene-henicosan-6-yl]azanium bromide Openeye Name: 1-[5-(4-nitrophenoxy)-5-oxo-pentyl]hexadecylammonium bromide CAS Name: [1-(4-nitrophenoxy)-1-oxoheneicosan-6-yl]ammonium bromide IUPAC Name: [1-(4-nitrophenoxy)-1-oxohenicosan-6-yl]azanium bromide Traditional Name: 1-[5-keto-5-(4-nitrophenoxy)pentyl]hexadecylammonium bromide Formula: C27H47BrN2O4 MolecularWeight: 543.57708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])[NH3+].[Br-]

InChI

InChI=1S/C27H46N2O4.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24(28)18-15-16-19-27(30)33-26-22-20-25(21-23-26)29(31)32;/h20-24H,2-19,28H2,1H3;1H