methylbenzene; tetrabutylazanium; sulfate

Systemtic Name: methylbenzene; tetrabutylazanium; sulfate Openeye Name: tetrabutylammonium; toluene; sulfate CAS Name: tetrabutylammonium; toluene; sulfate IUPAC Name: tetrabutylazanium; toluene; sulfate Traditional Name: tetrabutylammonium; toluene; sulfate Formula: C39H80N2O4S MolecularWeight: 673.1285

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=CC=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=CC=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C16H36N.C7H8.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7-5-3-2-4-6-7;1-5(2,3)4/h2*5-16H2,1-4H3;2-6H,1H3;(H2,1,2,3,4)/q2*+1;;/p-2