9-octyloctadecan-9-ylphosphanium ethanoate

Systemtic Name: 9-octyloctadecan-9-ylphosphanium ethanoate Openeye Name: 1,1-dioctyldecylphosphonium acetate CAS Name: 9-octyloctadecan-9-ylphosphonium acetate IUPAC Name: 9-octyloctadecan-9-ylphosphanium acetate Traditional Name: 1,1-dioctyldecylphosphonium acetate Formula: C28H59O2P MolecularWeight: 458.740621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)[PH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)(CCCCCCCC)[PH3+].CC(=O)[O-]

InChI

InChI=1S/C26H55P.C2H4O2/c1-4-7-10-13-16-19-22-25-26(27,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;1-2(3)4/h4-25,27H2,1-3H3;1H3,(H,3,4)