2-(9-naphthalen-1-yloxycarbonylacridin-10-ium-10-yl)ethanoic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(9-naphthalen-1-yloxycarbonylacridin-10-ium-10-yl)ethanoic acid; tris(fluoranyl)methanesulfonate Openeye Name: 2-[9-(1-naphthyloxycarbonyl)acridin-10-ium-10-yl]acetic acid; trifluoromethanesulfonate CAS Name: 2-[9-[1-naphthalenyloxy(oxo)methyl]-10-acridin-10-iumyl]acetic acid; trifluoromethanesulfonate IUPAC Name: 2-(9-naphthalen-1-yloxycarbonylacridin-10-ium-10-yl)acetic acid; trifluoromethanesulfonate Traditional Name: 2-[9-(1-naphthoxycarbonyl)acridin-10-ium-10-yl]acetic acid triflate Formula: C27H18F3NO7S MolecularWeight: 557.49453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=C4C=CC=CC4=[N+](C5=CC=CC=C53)CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=C4C=CC=CC4=[N+](C5=CC=CC=C53)CC(=O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H17NO4.CHF3O3S/c28-24(29)16-27-21-13-5-3-11-19(21)25(20-12-4-6-14-22(20)27)26(30)31-23-15-7-9-17-8-1-2-10-18(17)23;2-1(3,4)8(5,6)7/h1-15H,16H2;(H,5,6,7)