ethyl(trioctyl)azanium; (4-methylphenyl)methanesulfonate

Systemtic Name: ethyl(trioctyl)azanium; (4-methylphenyl)methanesulfonate Openeye Name: ethyl(trioctyl)ammonium; p-tolylmethanesulfonate CAS Name: ethyl(trioctyl)ammonium; (4-methylphenyl)methanesulfonate IUPAC Name: ethyl(trioctyl)azanium; (4-methylphenyl)methanesulfonate Traditional Name: ethyl(trioctyl)ammonium; p-tolylmethanesulfonate Formula: C34H65NO3S MolecularWeight: 567.9498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CC)(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](CC)(CCCCCCCC)CCCCCCCC.CC1=CC=C(C=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C26H56N.C8H10O3S/c1-5-9-12-15-18-21-24-27(8-4,25-22-19-16-13-10-6-2)26-23-20-17-14-11-7-3;1-7-2-4-8(5-3-7)6-12(9,10)11/h5-26H2,1-4H3;2-5H,6H2,1H3,(H,9,10,11)/q+1;/p-1