[16-(5-butoxy-5-oxidanylidene-pentyl)-15-tetradecyl-triacontan-15-yl]phosphanium bromide

Systemtic Name: [16-(5-butoxy-5-oxidanylidene-pentyl)-15-tetradecyl-triacontan-15-yl]phosphanium bromide Openeye Name: [2-(5-butoxy-5-oxo-pentyl)-1,1-di(tetradecyl)hexadecyl]phosphonium bromide CAS Name: [16-(5-butoxy-5-oxopentyl)-15-tetradecyltriacontan-15-yl]phosphonium bromide IUPAC Name: [16-(5-butoxy-5-oxopentyl)-15-tetradecyltriacontan-15-yl]phosphanium bromide Traditional Name: [2-(5-butoxy-5-keto-pentyl)-1,1-dimyristyl-hexadecyl]phosphonium bromide Formula: C53H108BrO2P MolecularWeight: 888.301181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCC(=O)OCCCC)C(CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)[PH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCC(=O)OCCCC)C(CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)[PH3+].[Br-]

InChI

InChI=1S/C53H107O2P.BrH/c1-5-9-13-16-19-22-25-28-31-34-37-40-45-51(46-41-42-47-52(54)55-50-12-8-4)53(56,48-43-38-35-32-29-26-23-20-17-14-10-6-2)49-44-39-36-33-30-27-24-21-18-15-11-7-3;/h51H,5-50,56H2,1-4H3;1H