1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-dodecyl-2-[12-(1-dodecyl-2-pyridin-1-iumyl)dodecyl]pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-lauryl-2-[12-(1-laurylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium ditriflate Formula: C48H82F6N2O6S2 MolecularWeight: 961.294899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C46H82N2.2CHF3O3S/c1-3-5-7-9-11-13-19-23-27-33-41-47-43-35-31-39-45(47)37-29-25-21-17-15-16-18-22-26-30-38-46-40-32-36-44-48(46)42-34-28-24-20-14-12-10-8-6-4-2;2*2-1(3,4)8(5,6)7/h31-32,35-36,39-40,43-44H,3-30,33-34,37-38,41-42H2,1-2H3;2*(H,5,6,7)/q+2;;/p-2