(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 2-methoxy-10-methyl-7-phenylmethoxy-acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 2-methoxy-10-methyl-7-phenylmethoxy-acridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 2-benzyloxy-7-methoxy-10-methyl-acridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 2-methoxy-10-methyl-7-phenylmethoxy-9-acridin-10-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester; trifluoromethanesulfonate IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-methoxy-10-methyl-7-phenylmethoxyacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 2-benzoxy-7-methoxy-10-methyl-acridin-10-ium-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester triflate Formula: C40H34F3NO9S MolecularWeight: 761.75947

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=C2C=C(C=C4)OCC5=CC=CC=C5)C)OC)C)C(=O)OCC6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=C2C=C(C=C4)OCC5=CC=CC=C5)C)OC)C)C(=O)OCC6=CC=CC=C6.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C39H34NO6.CHF3O3S/c1-25-19-29(38(41)45-24-28-13-9-6-10-14-28)20-26(2)37(25)46-39(42)36-32-21-30(43-4)15-17-34(32)40(3)35-18-16-31(22-33(35)36)44-23-27-11-7-5-8-12-27;2-1(3,4)8(5,6)7/h5-22H,23-24H2,1-4H3;(H,5,6,7)/q+1;/p-1