hexadecylazanium; octane-1,5-diol; sulfate

Systemtic Name: hexadecylazanium; octane-1,5-diol; sulfate Openeye Name: hexadecylammonium; octane-1,5-diol; sulfate CAS Name: hexadecylammonium; octane-1,5-diol; sulfate IUPAC Name: hexadecylazanium; octane-1,5-diol; sulfate Traditional Name: cetylammonium; octane-1,5-diol; sulfate Formula: C24H54NO6S- MolecularWeight: 484.75366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH3+].CCCC(CCCCO)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH3+].CCCC(CCCCO)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C16H35N.C8H18O2.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-5-8(10)6-3-4-7-9;1-5(2,3)4/h2-17H2,1H3;8-10H,2-7H2,1H3;(H2,1,2,3,4)/p-1