phenyl 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: phenyl 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: phenyl 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylate; 2,2,2-trifluoroacetate CAS Name: 10-methyl-2-phosphonooxy-9-acridin-10-iumcarboxylic acid phenyl ester; 2,2,2-trifluoroacetate IUPAC Name: phenyl 10-methyl-2-phosphonooxyacridin-10-ium-9-carboxylate; 2,2,2-trifluoroacetate Traditional Name: 10-methyl-2-phosphonooxy-acridin-10-ium-9-carboxylic acid phenyl ester; 2,2,2-trifluoroacetate Formula: C23H17F3NO8P MolecularWeight: 523.351951

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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=CC=C4)OP(=O)(O)O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H16NO6P.C2HF3O2/c1-22-18-10-6-5-9-16(18)20(21(23)27-14-7-3-2-4-8-14)17-13-15(11-12-19(17)22)28-29(24,25)26;3-2(4,5)1(6)7/h2-13H,1H3,(H-,24,25,26);(H,6,7)