[9-octanoyl-8,11-bis(oxidanylidene)octadecan-9-yl]phosphanium nitrate

Systemtic Name: [9-octanoyl-8,11-bis(oxidanylidene)octadecan-9-yl]phosphanium nitrate Openeye Name: [1,1-di(octanoyl)-3-oxo-decyl]phosphonium nitrate CAS Name: [8,11-dioxo-9-(1-oxooctyl)octadecan-9-yl]phosphonium nitrate IUPAC Name: (9-octanoyl-8,11-dioxooctadecan-9-yl)phosphanium nitrate Traditional Name: (1,1-dicaprylyl-3-keto-decyl)phosphonium nitrate Formula: C26H50NO6P MolecularWeight: 503.652061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)CC(C(=O)CCCCCCC)(C(=O)CCCCCCC)[PH3+].[N+](=O)([O-])[O-]

Isomeric SMILES

CCCCCCCC(=O)CC(C(=O)CCCCCCC)(C(=O)CCCCCCC)[PH3+].[N+](=O)([O-])[O-]

InChI

InChI=1S/C26H49O3P.NO3/c1-4-7-10-13-16-19-23(27)22-26(30,24(28)20-17-14-11-8-5-2)25(29)21-18-15-12-9-6-3;2-1(3)4/h4-22,30H2,1-3H3;/q;-1/p+1