1-(4-dodecylphenyl)-2,4,6-trimethyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-dodecylphenyl)-2,4,6-trimethyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-dodecylphenyl)-2,4,6-trimethyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(4-dodecylphenyl)-2,4,6-trimethylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(4-dodecylphenyl)-2,4,6-trimethylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(4-laurylphenyl)-2,4,6-trimethyl-pyridin-1-ium triflate Formula: C27H40F3NO3S MolecularWeight: 515.67161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H40N.CHF3O3S/c1-5-6-7-8-9-10-11-12-13-14-15-25-16-18-26(19-17-25)27-23(3)20-22(2)21-24(27)4;2-1(3,4)8(5,6)7/h16-21H,5-15H2,1-4H3;(H,5,6,7)/q+1;/p-1