hydrogen sulfate; oxidanyl sulfate; tetrabutylazanium; sulfate

Systemtic Name: hydrogen sulfate; oxidanyl sulfate; tetrabutylazanium; sulfate Openeye Name: hydrogen sulfate; hydroxy sulfate; tetrabutylammonium; sulfate CAS Name: hydrogen sulfate; hydroxy sulfate; tetrabutylammonium; sulfate IUPAC Name: hydrogen sulfate; hydroxy sulfate; tetrabutylazanium; sulfate Traditional Name: hydroxy sulfate; tetrabutylammonium; bisulfate; sulfate Formula: C80H183N5O18S4 MolecularWeight: 1631.59172

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.OOS(=O)(=O)[O-].OOS(=O)(=O)[O-].OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.OOS(=O)(=O)[O-].OOS(=O)(=O)[O-].OS(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/5C16H36N.2H2O5S.2H2O4S/c5*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2*1-5-6(2,3)4;2*1-5(2,3)4/h5*5-16H2,1-4H3;2*1H,(H,2,3,4);2*(H2,1,2,3,4)/q5*+1;;;;/p-5