[9-octanoyl-8,10-bis(oxidanylidene)heptadecan-9-yl]azanium bromide

Systemtic Name: [9-octanoyl-8,10-bis(oxidanylidene)heptadecan-9-yl]azanium bromide Openeye Name: [1,1-di(octanoyl)-2-oxo-nonyl]ammonium bromide CAS Name: [8,10-dioxo-9-(1-oxooctyl)heptadecan-9-yl]ammonium bromide IUPAC Name: (9-octanoyl-8,10-dioxoheptadecan-9-yl)azanium bromide Traditional Name: (1,1-dicaprylyl-2-keto-nonyl)ammonium bromide Formula: C25H48BrNO3 MolecularWeight: 490.55752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C(C(=O)CCCCCCC)(C(=O)CCCCCCC)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCC(=O)C(C(=O)CCCCCCC)(C(=O)CCCCCCC)[NH3+].[Br-]

InChI

InChI=1S/C25H47NO3.BrH/c1-4-7-10-13-16-19-22(27)25(26,23(28)20-17-14-11-8-5-2)24(29)21-18-15-12-9-6-3;/h4-21,26H2,1-3H3;1H