5-prop-2-enylbenzo[c][1,2]benzodithiin-5-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-prop-2-enylbenzo[c][1,2]benzodithiin-5-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5-allylbenzo[c][1,2]benzodithiin-5-ium; trifluoromethanesulfonate CAS Name: 5-prop-2-enylbenzo[c][1,2]benzodithiin-5-ium; trifluoromethanesulfonate IUPAC Name: 5-prop-2-enylbenzo[c][1,2]benzodithiin-5-ium; trifluoromethanesulfonate Traditional Name: 5-allylbenzo[c][1,2]benzodithiin-5-ium triflate Formula: C16H13F3O3S3 MolecularWeight: 406.46283

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[S+]1C2=CC=CC=C2C3=CC=CC=C3S1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C=CC[S+]1C2=CC=CC=C2C3=CC=CC=C3S1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H13S2.CHF3O3S/c1-2-11-17-15-10-6-4-8-13(15)12-7-3-5-9-14(12)16-17;2-1(3,4)8(5,6)7/h2-10H,1,11H2;(H,5,6,7)/q+1;/p-1