dihexadecyl(dimethyl)azanium; (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: dihexadecyl(dimethyl)azanium; (9E,12E)-octadeca-9,12-dienoate Openeye Name: dihexadecyl(dimethyl)ammonium; (9E,12E)-octadeca-9,12-dienoate CAS Name: dihexadecyl(dimethyl)ammonium; (9E,12E)-octadeca-9,12-dienoate IUPAC Name: dihexadecyl(dimethyl)azanium; (9E,12E)-octadeca-9,12-dienoate Traditional Name: dicetyl(dimethyl)ammonium; (9E,12E)-octadeca-9,12-dienoate Formula: C52H103NO2 MolecularWeight: 774.37972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.CCCCCC=CCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C34H72N.C18H32O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-34H2,1-4H3;6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/q+1;/p-1/b;7-6+,10-9+