[4-(10-methylacridin-10-ium-9-yl)carbonyloxyphenyl]phosphonic acid; tris(fluoranyl)methanesulfonate

Systemtic Name: [4-(10-methylacridin-10-ium-9-yl)carbonyloxyphenyl]phosphonic acid; tris(fluoranyl)methanesulfonate Openeye Name: [4-(10-methylacridin-10-ium-9-carbonyl)oxyphenyl]phosphonic acid; trifluoromethanesulfonate CAS Name: [4-[(10-methyl-9-acridin-10-iumyl)-oxomethoxy]phenyl]phosphonic acid; trifluoromethanesulfonate IUPAC Name: [4-(10-methylacridin-10-ium-9-carbonyl)oxyphenyl]phosphonic acid; trifluoromethanesulfonate Traditional Name: [4-(10-methylacridin-10-ium-9-carbonyl)oxyphenyl]phosphonic acid triflate Formula: C22H17F3NO8PS MolecularWeight: 543.406251

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)P(=O)(O)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=C(C=C4)P(=O)(O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C21H16NO5P.CHF3O3S/c1-22-18-8-4-2-6-16(18)20(17-7-3-5-9-19(17)22)21(23)27-14-10-12-15(13-11-14)28(24,25)26;2-1(3,4)8(5,6)7/h2-13H,1H3,(H-,24,25,26);(H,5,6,7)