1-(4-octylphenyl)-2,4,6-triphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-octylphenyl)-2,4,6-triphenyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(4-octylphenyl)-2,4,6-triphenyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-(4-octylphenyl)-2,4,6-triphenylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(4-octylphenyl)-2,4,6-triphenylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(4-octylphenyl)-2,4,6-triphenyl-pyridin-1-ium triflate Formula: C38H38F3NO3S MolecularWeight: 645.77343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C37H38N.CHF3O3S/c1-2-3-4-5-6-10-17-30-24-26-35(27-25-30)38-36(32-20-13-8-14-21-32)28-34(31-18-11-7-12-19-31)29-37(38)33-22-15-9-16-23-33;2-1(3,4)8(5,6)7/h7-9,11-16,18-29H,2-6,10,17H2,1H3;(H,5,6,7)/q+1;/p-1