4-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-4-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-4-ium; tris(fluoranyl)methanesulfonate Openeye Name: 4-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-4-ium; trifluoromethanesulfonate CAS Name: 4-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-4-ium; trifluoromethanesulfonate IUPAC Name: 4-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-4-ium; trifluoromethanesulfonate Traditional Name: 4-methyl-2,3-dihydrobenzo[h][1,4]benzoxathiin-4-ium triflate Formula: C14H13F3O4S2 MolecularWeight: 366.37583

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CCOC2=C1C=CC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[S+]1CCOC2=C1C=CC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H13OS.CHF3O3S/c1-15-9-8-14-13-11-5-3-2-4-10(11)6-7-12(13)15;2-1(3,4)8(5,6)7/h2-7H,8-9H2,1H3;(H,5,6,7)/q+1;/p-1