hexadecyl-oxidanyl-(3-oxidanylpropyl)azanium; octan-1-ol; sulfate

Systemtic Name: hexadecyl-oxidanyl-(3-oxidanylpropyl)azanium; octan-1-ol; sulfate Openeye Name: hexadecyl-hydroxy-(3-hydroxypropyl)ammonium; octan-1-ol; sulfate CAS Name: hexadecyl-hydroxy-(3-hydroxypropyl)ammonium; 1-octanol; sulfate IUPAC Name: hexadecyl-hydroxy-(3-hydroxypropyl)azanium; octan-1-ol; sulfate Traditional Name: cetyl-hydroxy-(3-hydroxypropyl)ammonium; octan-1-ol; sulfate Formula: C27H60NO7S- MolecularWeight: 542.8328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](CCCO)O.CCCCCCCCO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](CCCO)O.CCCCCCCCO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H41NO2.C8H18O.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-16-19-21;1-2-3-4-5-6-7-8-9;1-5(2,3)4/h21-22H,2-19H2,1H3;9H,2-8H2,1H3;(H2,1,2,3,4)/p-1