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(2-hexadecyl-1-oxidanyl-octadecyl)azanium; methyl sulfate

(2-hexadecyl-1-oxidanyl-octadecyl)azanium; methyl sulfate

Systemtic Name:(2-hexadecyl-1-oxidanyl-octadecyl)azanium; methyl sulfate
Openeye Name:(2-hexadecyl-1-hydroxy-octadecyl)ammonium; methyl sulfate
CAS Name:(2-hexadecyl-1-hydroxyoctadecyl)ammonium; methyl sulfate
IUPAC Name:(2-hexadecyl-1-hydroxyoctadecyl)azanium; methyl sulfate
Traditional Name:(2-cetyl-1-hydroxy-octadecyl)ammonium; methyl sulfate
Formula: C35H75NO5S
MolecularWeight: 622.0387
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C([NH3+])O.COS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C([NH3+])O.COS(=O)(=O)[O-]


InChI

InChI=1S/C34H71NO.CH4O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6(2,3)4/h33-34,36H,3-32,35H2,1-2H3;1H3,(H,2,3,4)


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