2-fluoranyloctanoate; hexadecyl(trimethyl)azanium

Systemtic Name: 2-fluoranyloctanoate; hexadecyl(trimethyl)azanium Openeye Name: 2-fluorooctanoate; hexadecyl(trimethyl)ammonium CAS Name: 2-fluorooctanoate; hexadecyl(trimethyl)ammonium IUPAC Name: 2-fluorooctanoate; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 2-fluorocaprylate Formula: C27H56FNO2 MolecularWeight: 445.737443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCC(C(=O)[O-])F

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCC(C(=O)[O-])F

InChI

InChI=1S/C19H42N.C8H15FO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7(9)8(10)11/h5-19H2,1-4H3;7H,2-6H2,1H3,(H,10,11)/q+1;/p-1