3-(4-decoxyphenyl)isochromenylium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-(4-decoxyphenyl)isochromenylium; tris(fluoranyl)methanesulfonate Openeye Name: 3-(4-decoxyphenyl)isochromenylium; trifluoromethanesulfonate CAS Name: 3-(4-decoxyphenyl)-2-benzopyrylium; trifluoromethanesulfonate IUPAC Name: 3-(4-decoxyphenyl)isochromenylium; trifluoromethanesulfonate Traditional Name: 3-(4-decoxyphenyl)-2-benzopyrylium triflate Formula: C26H31F3O5S MolecularWeight: 512.58155

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=[O+]2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC3=CC=CC=C3C=[O+]2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H31O2.CHF3O3S/c1-2-3-4-5-6-7-8-11-18-26-24-16-14-21(15-17-24)25-19-22-12-9-10-13-23(22)20-27-25;2-1(3,4)8(5,6)7/h9-10,12-17,19-20H,2-8,11,18H2,1H3;(H,5,6,7)/q+1;/p-1