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

Systemtic Name: butyl-[(4-cyanophenyl)methyl]-(3-tetracen-5-ylphenyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: butyl-[(4-cyanophenyl)methyl]-(3-tetracen-5-ylphenyl)sulfonium; trifluoromethanesulfonate CAS Name: butyl-[(4-cyanophenyl)methyl]-[3-(5-tetracenyl)phenyl]sulfonium; trifluoromethanesulfonate IUPAC Name: butyl-[(4-cyanophenyl)methyl]-(3-tetracen-5-ylphenyl)sulfanium; trifluoromethanesulfonate Traditional Name: butyl-(4-cyanobenzyl)-(3-tetracen-5-ylphenyl)sulfonium triflate Formula: C37H30F3NO3S2 MolecularWeight: 657.76421

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[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

CCCC[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/C36H30NS.CHF3O3S/c1-2-3-19-38(25-27-17-15-26(24-37)16-18-27)33-13-8-12-31(22-33)36-34-14-7-6-11-30(34)21-32-20-28-9-4-5-10-29(28)23-35(32)36;2-1(3,4)8(5,6)7/h4-18,20-23H,2-3,19,25H2,1H3;(H,5,6,7)/q+1;/p-1