di(tridecan-2-yl)azanium ethanoate

Systemtic Name: di(tridecan-2-yl)azanium ethanoate Openeye Name: bis(1-methyldodecyl)ammonium acetate CAS Name: di(tridecan-2-yl)ammonium acetate IUPAC Name: di(tridecan-2-yl)azanium acetate Traditional Name: bis(1-methyldodecyl)ammonium acetate Formula: C28H59NO2 MolecularWeight: 441.77356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)[NH2+]C(C)CCCCCCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(C)[NH2+]C(C)CCCCCCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C26H55N.C2H4O2/c1-5-7-9-11-13-15-17-19-21-23-25(3)27-26(4)24-22-20-18-16-14-12-10-8-6-2;1-2(3)4/h25-27H,5-24H2,1-4H3;1H3,(H,3,4)