(4-cyanophenyl)methyl-methyl-(3-tetracen-5-ylphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-cyanophenyl)methyl-methyl-(3-tetracen-5-ylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-cyanophenyl)methyl-methyl-(3-tetracen-5-ylphenyl)sulfonium; trifluoromethanesulfonate CAS Name: (4-cyanophenyl)methyl-methyl-[3-(5-tetracenyl)phenyl]sulfonium; trifluoromethanesulfonate IUPAC Name: (4-cyanophenyl)methyl-methyl-(3-tetracen-5-ylphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: (4-cyanobenzyl)-methyl-(3-tetracen-5-ylphenyl)sulfonium triflate Formula: C34H24F3NO3S2 MolecularWeight: 615.68447

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CC1=CC=C(C=C1)C#N)C2=CC=CC(=C2)C3=C4C=CC=CC4=CC5=CC6=CC=CC=C6C=C53.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[S+](CC1=CC=C(C=C1)C#N)C2=CC=CC(=C2)C3=C4C=CC=CC4=CC5=CC6=CC=CC=C6C=C53.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C33H24NS.CHF3O3S/c1-35(22-24-15-13-23(21-34)14-16-24)30-11-6-10-28(19-30)33-31-12-5-4-9-27(31)18-29-17-25-7-2-3-8-26(25)20-32(29)33;2-1(3,4)8(5,6)7/h2-20H,22H2,1H3;(H,5,6,7)/q+1;/p-1