(4-cyanophenyl)methyl-(phenylmethyl)-(2-tetracen-5-ylphenyl)sulfanium hexafluorophosphate

Systemtic Name: (4-cyanophenyl)methyl-(phenylmethyl)-(2-tetracen-5-ylphenyl)sulfanium hexafluorophosphate Openeye Name: benzyl-[(4-cyanophenyl)methyl]-(2-tetracen-5-ylphenyl)sulfonium hexafluorophosphate CAS Name: (4-cyanophenyl)methyl-(phenylmethyl)-[2-(5-tetracenyl)phenyl]sulfonium hexafluorophosphate IUPAC Name: benzyl-[(4-cyanophenyl)methyl]-(2-tetracen-5-ylphenyl)sulfanium hexafluorophosphate Traditional Name: benzyl-(4-cyanobenzyl)-(2-tetracen-5-ylphenyl)sulfonium hexafluorophosphate Formula: C39H28F6NPS MolecularWeight: 687.6755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[S+](CC2=CC=C(C=C2)C#N)C3=CC=CC=C3C4=C5C=CC=CC5=CC6=CC7=CC=CC=C7C=C64.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C[S+](CC2=CC=C(C=C2)C#N)C3=CC=CC=C3C4=C5C=CC=CC5=CC6=CC7=CC=CC=C7C=C64.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C39H28NS.F6P/c40-25-28-18-20-30(21-19-28)27-41(26-29-10-2-1-3-11-29)38-17-9-8-16-36(38)39-35-15-7-6-14-33(35)23-34-22-31-12-4-5-13-32(31)24-37(34)39;1-7(2,3,4,5)6/h1-24H,26-27H2;/q+1;-1