1,2-dihydroacridin-10-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1,2-dihydroacridin-10-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1,2-dihydroacridin-10-ium; trifluoromethanesulfonate CAS Name: 1,2-dihydroacridin-10-ium; trifluoromethanesulfonate IUPAC Name: 1,2-dihydroacridin-10-ium; trifluoromethanesulfonate Traditional Name: 1,2-dihydroacridin-10-ium triflate Formula: C14H12F3NO3S MolecularWeight: 331.31019

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC3=CC=CC=C3[NH+]=C2C=C1.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC2=CC3=CC=CC=C3[NH+]=C2C=C1.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H11N.CHF3O3S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2-1(3,4)8(5,6)7/h1,3-5,7-9H,2,6H2;(H,5,6,7)