benzenesulfonate; 1-methyl-3-octyl-imidazol-1-ium

Systemtic Name: benzenesulfonate; 1-methyl-3-octyl-imidazol-1-ium Openeye Name: benzenesulfonate; 1-methyl-3-octyl-imidazol-1-ium CAS Name: benzenesulfonate; 1-methyl-3-octylimidazol-1-ium IUPAC Name: benzenesulfonate; 1-methyl-3-octylimidazol-1-ium Traditional Name: 1-methyl-3-octyl-imidazol-1-ium besylate Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H23N2.C6H6O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;7-10(8,9)6-4-2-1-3-5-6/h10-12H,3-9H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1