hexadecyl-(2-oxidanylpentyl)-bis(3-oxidanylpropyl)azanium sulfate

Systemtic Name: hexadecyl-(2-oxidanylpentyl)-bis(3-oxidanylpropyl)azanium sulfate Openeye Name: hexadecyl-(2-hydroxypentyl)-bis(3-hydroxypropyl)ammonium sulfate CAS Name: hexadecyl-(2-hydroxypentyl)-bis(3-hydroxypropyl)ammonium sulfate IUPAC Name: hexadecyl-(2-hydroxypentyl)-bis(3-hydroxypropyl)azanium sulfate Traditional Name: cetyl-(2-hydroxypentyl)-bis(3-hydroxypropyl)ammonium sulfate Formula: C27H58NO7S- MolecularWeight: 540.81692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCCO)(CCCO)CC(CCC)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCCO)(CCCO)CC(CCC)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C27H58NO3.H2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28(22-18-24-29,23-19-25-30)26-27(31)20-4-2;1-5(2,3)4/h27,29-31H,3-26H2,1-2H3;(H2,1,2,3,4)/q+1;/p-2