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dioctadecyl(3-oxidanylpropyl)azanium; methyl sulfate

dioctadecyl(3-oxidanylpropyl)azanium; methyl sulfate

Systemtic Name:dioctadecyl(3-oxidanylpropyl)azanium; methyl sulfate
Openeye Name:3-hydroxypropyl(dioctadecyl)ammonium; methyl sulfate
CAS Name:3-hydroxypropyl(dioctadecyl)ammonium; methyl sulfate
IUPAC Name:3-hydroxypropyl(dioctadecyl)azanium; methyl sulfate
Traditional Name:3-hydroxypropyl(distearyl)ammonium; methyl sulfate
Formula: C40H85NO5S
MolecularWeight: 692.1716
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C39H81NO.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-40(38-35-39-41)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h41H,3-39H2,1-2H3;1H3,(H,2,3,4)


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