2-ethenyl-1-(3-iodanylbut-3-enyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-ethenyl-1-(3-iodanylbut-3-enyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(3-iodobut-3-enyl)-2-vinyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-ethenyl-1-(3-iodobut-3-enyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-ethenyl-1-(3-iodobut-3-enyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-(3-iodobut-3-enyl)-2-vinyl-pyridin-1-ium triflate Formula: C12H13F3INO3S MolecularWeight: 435.2012

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=CC=[N+]1CCC(=C)I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C=CC1=CC=CC=[N+]1CCC(=C)I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H13IN.CHF3O3S/c1-3-11-6-4-5-8-13(11)9-7-10(2)12;2-1(3,4)8(5,6)7/h3-6,8H,1-2,7,9H2;(H,5,6,7)/q+1;/p-1