(4-ethanoyl-2-methyl-naphthalen-1-yl) 10-(2-oxidanylidene-2-phenylmethoxy-ethyl)acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-ethanoyl-2-methyl-naphthalen-1-yl) 10-(2-oxidanylidene-2-phenylmethoxy-ethyl)acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: (4-acetyl-2-methyl-1-naphthyl) 10-(2-benzyloxy-2-oxo-ethyl)acridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 10-(2-oxo-2-phenylmethoxyethyl)-9-acridin-10-iumcarboxylic acid (4-acetyl-2-methyl-1-naphthalenyl) ester; trifluoromethanesulfonate IUPAC Name: (4-acetyl-2-methylnaphthalen-1-yl) 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 (4-acetyl-2-methyl-1-naphthyl) ester triflate Formula: C37H28F3NO8S MolecularWeight: 703.68033

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1)C(=O)C)OC(=O)C3=C4C=CC=CC4=[N+](C5=CC=CC=C53)CC(=O)OCC6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1)C(=O)C)OC(=O)C3=C4C=CC=CC4=[N+](C5=CC=CC=C53)CC(=O)OCC6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C36H28NO5.CHF3O3S/c1-23-20-30(24(2)38)26-14-6-7-15-27(26)35(23)42-36(40)34-28-16-8-10-18-31(28)37(32-19-11-9-17-29(32)34)21-33(39)41-22-25-12-4-3-5-13-25;2-1(3,4)8(5,6)7/h3-20H,21-22H2,1-2H3;(H,5,6,7)/q+1;/p-1