(6-oxidanylnaphthalen-1-yl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (6-oxidanylnaphthalen-1-yl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: (6-hydroxy-1-naphthyl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (6-hydroxy-1-naphthalenyl) ester; trifluoromethanesulfonate IUPAC Name: (6-hydroxynaphthalen-1-yl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (6-hydroxy-1-naphthyl) ester triflate Formula: C26H18F3NO6S MolecularWeight: 529.48443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC5=C4C=CC(=C5)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC5=C4C=CC(=C5)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H17NO3.CHF3O3S/c1-26-21-10-4-2-8-19(21)24(20-9-3-5-11-22(20)26)25(28)29-23-12-6-7-16-15-17(27)13-14-18(16)23;2-1(3,4)8(5,6)7/h2-15H,1H3;(H,5,6,7)