dihexadecyl(dimethyl)azanium; 2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: dihexadecyl(dimethyl)azanium; 2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: dihexadecyl(dimethyl)ammonium; 2,3,4,5,6-pentahydroxyhexanoate CAS Name: dihexadecyl(dimethyl)ammonium; 2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: dihexadecyl(dimethyl)azanium; 2,3,4,5,6-pentahydroxyhexanoate Traditional Name: dicetyl(dimethyl)ammonium; 2,3,4,5,6-pentahydroxyhexanoate Formula: C40H83NO7 MolecularWeight: 690.08952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H72N.C6H12O7/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;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-34H2,1-4H3;2-5,7-11H,1H2,(H,12,13)/q+1;/p-1