benzenesulfonate; ethyl(trioctyl)azanium

Systemtic Name: benzenesulfonate; ethyl(trioctyl)azanium Openeye Name: benzenesulfonate; ethyl(trioctyl)ammonium CAS Name: benzenesulfonate; ethyl(trioctyl)ammonium IUPAC Name: benzenesulfonate; ethyl(trioctyl)azanium Traditional Name: ethyl(trioctyl)ammonium besylate Formula: C32H61NO3S MolecularWeight: 539.89664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H56N.C6H6O3S/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;7-10(8,9)6-4-2-1-3-5-6/h5-26H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1