(4-cyanophenyl)methyl-methyl-(2-tetracen-5-ylphenyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4-cyanophenyl)methyl-methyl-(2-tetracen-5-ylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (4-cyanophenyl)methyl-methyl-(2-tetracen-5-ylphenyl)sulfonium; trifluoromethanesulfonate CAS Name: (4-cyanophenyl)methyl-methyl-[2-(5-tetracenyl)phenyl]sulfonium; trifluoromethanesulfonate IUPAC Name: (4-cyanophenyl)methyl-methyl-(2-tetracen-5-ylphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: (4-cyanobenzyl)-methyl-(2-tetracen-5-ylphenyl)sulfonium triflate Formula: C34H24F3NO3S2 MolecularWeight: 615.68447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[S+](CC1=CC=C(C=C1)C#N)C2=CC=CC=C2C3=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=C2C3=C4C=CC=CC4=CC5=CC6=CC=CC=C6C=C53.C(F)(F)(F)S(=O)(=O)[O-]

InChI

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