methyl(trioctyl)azanium sulfate

Systemtic Name: methyl(trioctyl)azanium sulfate Openeye Name: methyl(trioctyl)ammonium sulfate CAS Name: methyl(trioctyl)ammonium sulfate IUPAC Name: methyl(trioctyl)azanium sulfate Traditional Name: methyl(trioctyl)ammonium sulfate Formula: C50H108N2O4S MolecularWeight: 833.46852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C25H54N.H2O4S/c2*1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-5(2,3)4/h2*5-25H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2