13-dodecylpentacosan-13-ylazanium ethanoate

Systemtic Name: 13-dodecylpentacosan-13-ylazanium ethanoate Openeye Name: 1,1-didodecyltridecylammonium acetate CAS Name: 13-dodecylpentacosan-13-ylammonium acetate IUPAC Name: 13-dodecylpentacosan-13-ylazanium acetate Traditional Name: 1,1-dilauryltridecylammonium acetate Formula: C39H81NO2 MolecularWeight: 596.06594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H77N.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37(38,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h4-36,38H2,1-3H3;1H3,(H,3,4)