cetyl ethylhexyldimonium methosulfate (Q27294644)

N-(2-Ethylhexyl)-N,N-dimethyl-1-hexadecanaminium methyl sulfate (English)

14 October 2016

chemical formula

C₂₇H₅₉NO₄S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC(CC)CCCC.COS(=O)(=O)[O-]

1 reference

stated in

cetyl ethylhexyldimonium methosulfate (English)

InChI=1S/C26H56N.CH4O4S/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-24-27(4,5)25-26(8-3)23-10-7-2;1-5-6(2,3)4/h26H,6-25H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

14 October 2016

Identifiers

InChI

1 reference

stated in

cetyl ethylhexyldimonium methosulfate (English)

HHEHTCKCCNOREU-UHFFFAOYSA-M

14 October 2016

InChIKey

1 reference

stated in

cetyl ethylhexyldimonium methosulfate (English)

14 October 2016

1 reference

matched by identifier from

N-(2-Ethylhexyl)-N,N-dimethyl-1-hexadecanaminium methyl sulfate (English)

14 October 2016

2 references

26 December 2021

InChIKey

HHEHTCKCCNOREU-UHFFFAOYSA-M

1 reference

2 references

cetyl ethylhexyldimonium methosulfate (English)