3,4-bis(4-chlorophenyl)-1-methyl-2H-selenopyran-1-ium-6-carbonitrile; tris(fluoranyl)methanesulfonate

Systemtic Name: 3,4-bis(4-chlorophenyl)-1-methyl-2H-selenopyran-1-ium-6-carbonitrile; tris(fluoranyl)methanesulfonate Openeye Name: 3,4-bis(4-chlorophenyl)-1-methyl-2H-selenopyran-1-ium-6-carbonitrile; trifluoromethanesulfonate CAS Name: 3,4-bis(4-chlorophenyl)-1-methyl-2H-selenin-1-ium-6-carbonitrile; trifluoromethanesulfonate IUPAC Name: 3,4-bis(4-chlorophenyl)-1-methyl-2H-selenopyran-1-ium-6-carbonitrile; trifluoromethanesulfonate Traditional Name: 3,4-bis(4-chlorophenyl)-1-methyl-2H-selenopyran-1-ium-6-carbonitrile triflate Formula: C20H14Cl2F3NO3SSe MolecularWeight: 555.25627

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Descriptors Computed from Structure

Canonical SMILES:

C[Se+]1CC(=C(C=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[Se+]1CC(=C(C=C1C#N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H14Cl2NSe.CHF3O3S/c1-23-12-19(14-4-8-16(21)9-5-14)18(10-17(23)11-22)13-2-6-15(20)7-3-13;2-1(3,4)8(5,6)7/h2-10H,12H2,1H3;(H,5,6,7)/q+1;/p-1