5-methylbenzo[d][1,3]benzodithiepin-5-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 5-methylbenzo[d][1,3]benzodithiepin-5-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5-methylbenzo[d][1,3]benzodithiepin-5-ium; trifluoromethanesulfonate CAS Name: 5-methylbenzo[d][1,3]benzodithiepin-5-ium; trifluoromethanesulfonate IUPAC Name: 5-methylbenzo[d][1,3]benzodithiepin-5-ium; trifluoromethanesulfonate Traditional Name: 5-methylbenzo[d][1,3]benzodithiepin-5-ium triflate Formula: C15H13F3O3S3 MolecularWeight: 394.45213

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CSC2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[S+]1CSC2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H13S2.CHF3O3S/c1-16-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16;2-1(3,4)8(5,6)7/h2-9H,10H2,1H3;(H,5,6,7)/q+1;/p-1