10-(carboxymethyl)-1-(2-phenylphenyl)acridin-10-ium-9-carboxylic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 10-(carboxymethyl)-1-(2-phenylphenyl)acridin-10-ium-9-carboxylic acid; tris(fluoranyl)methanesulfonate Openeye Name: 10-(carboxymethyl)-1-(2-phenylphenyl)acridin-10-ium-9-carboxylic acid; trifluoromethanesulfonate CAS Name: 10-(carboxymethyl)-1-(2-phenylphenyl)-9-acridin-10-iumcarboxylic acid; trifluoromethanesulfonate IUPAC Name: 10-(carboxymethyl)-1-(2-phenylphenyl)acridin-10-ium-9-carboxylic acid; trifluoromethanesulfonate Traditional Name: 10-(carboxymethyl)-1-(2-phenylphenyl)acridin-10-ium-9-carboxylic acid triflate Formula: C29H20F3NO7S MolecularWeight: 583.53181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC4=[N+](C5=CC=CC=C5C(=C43)C(=O)O)CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC4=[N+](C5=CC=CC=C5C(=C43)C(=O)O)CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H19NO4.CHF3O3S/c30-25(31)17-29-23-15-7-6-13-22(23)27(28(32)33)26-21(14-8-16-24(26)29)20-12-5-4-11-19(20)18-9-2-1-3-10-18;2-1(3,4)8(5,6)7/h1-16H,17H2,(H-,30,31,32,33);(H,5,6,7)