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

Systemtic Name: [9-octanoyl-8,10-bis(oxidanylidene)heptadecan-9-yl]azanium nitrate Openeye Name: [1,1-di(octanoyl)-2-oxo-nonyl]ammonium nitrate CAS Name: [8,10-dioxo-9-(1-oxooctyl)heptadecan-9-yl]ammonium nitrate IUPAC Name: (9-octanoyl-8,10-dioxoheptadecan-9-yl)azanium nitrate Traditional Name: (1,1-dicaprylyl-2-keto-nonyl)ammonium nitrate Formula: C25H48N2O6 MolecularWeight: 472.65842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47NO3.NO3/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;2-1(3)4/h4-21,26H2,1-3H3;/q;-1/p+1