(2-methylphenyl) 10-(2-oxidanylidene-2-phenylmethoxy-ethyl)acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (2-methylphenyl) 10-(2-oxidanylidene-2-phenylmethoxy-ethyl)acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: o-tolyl 10-(2-benzyloxy-2-oxo-ethyl)acridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 10-(2-oxo-2-phenylmethoxyethyl)-9-acridin-10-iumcarboxylic acid (2-methylphenyl) ester; trifluoromethanesulfonate IUPAC Name: (2-methylphenyl) 10-(2-oxo-2-phenylmethoxyethyl)acridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 10-(2-benzoxy-2-keto-ethyl)acridin-10-ium-9-carboxylic acid o-tolyl ester triflate Formula: C31H24F3NO7S MolecularWeight: 611.58497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CC(=O)OCC5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CC(=O)OCC5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C30H24NO4.CHF3O3S/c1-21-11-5-10-18-27(21)35-30(33)29-23-14-6-8-16-25(23)31(26-17-9-7-15-24(26)29)19-28(32)34-20-22-12-3-2-4-13-22;2-1(3,4)8(5,6)7/h2-18H,19-20H2,1H3;(H,5,6,7)/q+1;/p-1