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

Systemtic Name: hexadecyl-bis(3-oxidanylpropyl)azanium; 2-oxidanylpentyl sulfate Openeye Name: hexadecyl-bis(3-hydroxypropyl)ammonium; 2-hydroxypentyl sulfate CAS Name: hexadecyl-bis(3-hydroxypropyl)ammonium; 2-hydroxypentyl sulfate IUPAC Name: hexadecyl-bis(3-hydroxypropyl)azanium; 2-hydroxypentyl sulfate Traditional Name: cetyl-bis(3-hydroxypropyl)ammonium; 2-hydroxypentyl sulfate Formula: C27H59NO7S MolecularWeight: 541.82486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](CCCO)CCCO.CCCC(COS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](CCCO)CCCO.CCCC(COS(=O)(=O)[O-])O

InChI

InChI=1S/C22H47NO2.C5H12O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(19-16-21-24)20-17-22-25;1-2-3-5(6)4-10-11(7,8)9/h24-25H,2-22H2,1H3;5-6H,2-4H2,1H3,(H,7,8,9)