1,1,2,2,3-pentaethoxyoctadecylazanium ethanoate

Systemtic Name: 1,1,2,2,3-pentaethoxyoctadecylazanium ethanoate Openeye Name: 1,1,2,2,3-pentaethoxyoctadecylammonium acetate CAS Name: 1,1,2,2,3-pentaethoxyoctadecylammonium acetate IUPAC Name: 1,1,2,2,3-pentaethoxyoctadecylazanium acetate Traditional Name: 1,1,2,2,3-pentaethoxyoctadecylammonium acetate Formula: C30H63NO7 MolecularWeight: 549.82372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C([NH3+])(OCC)OCC)(OCC)OCC)OCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(C([NH3+])(OCC)OCC)(OCC)OCC)OCC.CC(=O)[O-]

InChI

InChI=1S/C28H59NO5.C2H4O2/c1-7-13-14-15-16-17-18-19-20-21-22-23-24-25-26(30-8-2)27(31-9-3,32-10-4)28(29,33-11-5)34-12-6;1-2(3)4/h26H,7-25,29H2,1-6H3;1H3,(H,3,4)