decyl-dimethyl-(7-methyloctyl)azanium; (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: decyl-dimethyl-(7-methyloctyl)azanium; (9E,12E)-octadeca-9,12-dienoate Openeye Name: decyl-dimethyl-(7-methyloctyl)ammonium; (9E,12E)-octadeca-9,12-dienoate CAS Name: decyl-dimethyl-(7-methyloctyl)ammonium; (9E,12E)-octadeca-9,12-dienoate IUPAC Name: decyl-dimethyl-(7-methyloctyl)azanium; (9E,12E)-octadeca-9,12-dienoate Traditional Name: decyl-dimethyl-(7-methyloctyl)ammonium; (9E,12E)-octadeca-9,12-dienoate Formula: C39H77NO2 MolecularWeight: 592.03418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C18H32O2/c1-6-7-8-9-10-11-13-16-19-22(4,5)20-17-14-12-15-18-21(2)3;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h21H,6-20H2,1-5H3;6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/q+1;/p-1/b;7-6+,10-9+