14,14-bis(oxidanyl)hexacosan-13-ylazanium ethanoate

Systemtic Name: 14,14-bis(oxidanyl)hexacosan-13-ylazanium ethanoate Openeye Name: (1-dodecyl-2,2-dihydroxy-tetradecyl)ammonium acetate CAS Name: 14,14-dihydroxyhexacosan-13-ylammonium acetate IUPAC Name: 14,14-dihydroxyhexacosan-13-ylazanium acetate Traditional Name: (2,2-dihydroxy-1-lauryl-tetradecyl)ammonium acetate Formula: C28H59NO4 MolecularWeight: 473.77236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(CCCCCCCCCCCC)(O)O)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(C(CCCCCCCCCCCC)(O)O)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C26H55NO2.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25(27)26(28,29)24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h25,28-29H,3-24,27H2,1-2H3;1H3,(H,3,4)