hexadecyl-(4-oxidanylpentyl)-bis(3-oxidanylpropyl)azanium sulfate

Systemtic Name: hexadecyl-(4-oxidanylpentyl)-bis(3-oxidanylpropyl)azanium sulfate Openeye Name: hexadecyl-(4-hydroxypentyl)-bis(3-hydroxypropyl)ammonium sulfate CAS Name: hexadecyl-(4-hydroxypentyl)-bis(3-hydroxypropyl)ammonium sulfate IUPAC Name: hexadecyl-(4-hydroxypentyl)-bis(3-hydroxypropyl)azanium sulfate Traditional Name: cetyl-(4-hydroxypentyl)-bis(3-hydroxypropyl)ammonium sulfate Formula: C54H116N2O10S MolecularWeight: 985.57124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C27H58NO3.H2O4S/c2*1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(23-18-25-29,24-19-26-30)22-17-20-27(2)31;1-5(2,3)4/h2*27,29-31H,3-26H2,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2