benzenesulfonate; tetraoctylazanium

Systemtic Name: benzenesulfonate; tetraoctylazanium Openeye Name: benzenesulfonate; tetraoctylammonium CAS Name: benzenesulfonate; tetraoctylammonium IUPAC Name: benzenesulfonate; tetraoctylazanium Traditional Name: tetraoctylammonium besylate Formula: C38H73NO3S MolecularWeight: 624.05612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H68N.C6H6O3S/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;7-10(8,9)6-4-2-1-3-5-6/h5-32H2,1-4H3;1-5H,(H,7,8,9)/q+1;/p-1