(3-chloranylsulfonyl-2,6-dimethyl-phenyl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-chloranylsulfonyl-2,6-dimethyl-phenyl) 10-methylacridin-10-ium-9-carboxylate; tris(fluoranyl)methanesulfonate Openeye Name: (3-chlorosulfonyl-2,6-dimethyl-phenyl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarboxylic acid (3-chlorosulfonyl-2,6-dimethylphenyl) ester; trifluoromethanesulfonate IUPAC Name: (3-chlorosulfonyl-2,6-dimethylphenyl) 10-methylacridin-10-ium-9-carboxylate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carboxylic acid (3-chlorosulfonyl-2,6-dimethyl-phenyl) ester triflate Formula: C24H19ClF3NO7S2 MolecularWeight: 589.98837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)Cl)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)Cl)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C23H19ClNO4S.CHF3O3S/c1-14-12-13-20(30(24,27)28)15(2)22(14)29-23(26)21-16-8-4-6-10-18(16)25(3)19-11-7-5-9-17(19)21;2-1(3,4)8(5,6)7/h4-13H,1-3H3;(H,5,6,7)/q+1;/p-1