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hexadecyl-bis(3-oxidanylpropyl)azanium; pentan-2-ol; sulfate

hexadecyl-bis(3-oxidanylpropyl)azanium; pentan-2-ol; sulfate

Systemtic Name:hexadecyl-bis(3-oxidanylpropyl)azanium; pentan-2-ol; sulfate
Openeye Name:hexadecyl-bis(3-hydroxypropyl)ammonium; pentan-2-ol; sulfate
CAS Name:hexadecyl-bis(3-hydroxypropyl)ammonium; 2-pentanol; sulfate
IUPAC Name:hexadecyl-bis(3-hydroxypropyl)azanium; pentan-2-ol; sulfate
Traditional Name:cetyl-bis(3-hydroxypropyl)ammonium; pentan-2-ol; sulfate
Formula: C27H60NO7S-
MolecularWeight: 542.8328
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H47NO2.C5H12O.H2O4S/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;1-3-4-5(2)6;1-5(2,3)4/h24-25H,2-22H2,1H3;5-6H,3-4H2,1-2H3;(H2,1,2,3,4)/p-1


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