10-methyl-9-(10-methylacridin-10-ium-9-yl)oxy-acridin-10-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 10-methyl-9-(10-methylacridin-10-ium-9-yl)oxy-acridin-10-ium; tris(fluoranyl)methanesulfonate Openeye Name: 10-methyl-9-(10-methylacridin-10-ium-9-yl)oxy-acridin-10-ium; trifluoromethanesulfonate CAS Name: 10-methyl-9-[(10-methyl-9-acridin-10-iumyl)oxy]acridin-10-ium; trifluoromethanesulfonate IUPAC Name: 10-methyl-9-(10-methylacridin-10-ium-9-yl)oxyacridin-10-ium; trifluoromethanesulfonate Traditional Name: 10-methyl-9-(10-methylacridin-10-ium-9-yl)oxy-acridin-10-ium ditriflate Formula: C30H22F6N2O7S2 MolecularWeight: 700.625299

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)OC4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)OC4=C5C=CC=CC5=[N+](C6=CC=CC=C64)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C28H22N2O.2CHF3O3S/c1-29-23-15-7-3-11-19(23)27(20-12-4-8-16-24(20)29)31-28-21-13-5-9-17-25(21)30(2)26-18-10-6-14-22(26)28;2*2-1(3,4)8(5,6)7/h3-18H,1-2H3;2*(H,5,6,7)/q+2;;/p-2