[9-octanoyl-8,11-bis(oxidanylidene)octadecan-9-yl]azanium chloride

Systemtic Name: [9-octanoyl-8,11-bis(oxidanylidene)octadecan-9-yl]azanium chloride Openeye Name: [1,1-di(octanoyl)-3-oxo-decyl]ammonium chloride CAS Name: [8,11-dioxo-9-(1-oxooctyl)octadecan-9-yl]ammonium chloride IUPAC Name: (9-octanoyl-8,11-dioxooctadecan-9-yl)azanium chloride Traditional Name: (1,1-dicaprylyl-3-keto-decyl)ammonium chloride Formula: C26H50ClNO3 MolecularWeight: 460.1331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H49NO3.ClH/c1-4-7-10-13-16-19-23(28)22-26(27,24(29)20-17-14-11-8-5-2)25(30)21-18-15-12-9-6-3;/h4-22,27H2,1-3H3;1H