10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate

Systemtic Name: 10-methylacridin-10-ium-9-carbothioate; tris(fluoranyl)methanesulfonate Openeye Name: 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate CAS Name: 10-methyl-9-acridin-10-iumcarbothioate; trifluoromethanesulfonate IUPAC Name: 10-methylacridin-10-ium-9-carbothioate; trifluoromethanesulfonate Traditional Name: 10-methylacridin-10-ium-9-carbothioate triflate Formula: C16H11F3NO4S2- MolecularWeight: 402.38805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11NOS.CHF3O3S/c1-16-12-8-4-2-6-10(12)14(15(17)18)11-7-3-5-9-13(11)16;2-1(3,4)8(5,6)7/h2-9H,1H3;(H,5,6,7)/p-1