1-(2-anthracen-9-ylphenyl)pentan-2-ylsulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(2-anthracen-9-ylphenyl)pentan-2-ylsulfanium; tris(fluoranyl)methanesulfonate Openeye Name: 1-[[2-(9-anthryl)phenyl]methyl]butylsulfonium; trifluoromethanesulfonate CAS Name: 1-[2-(9-anthracenyl)phenyl]pentan-2-ylsulfonium; trifluoromethanesulfonate IUPAC Name: 1-(2-anthracen-9-ylphenyl)pentan-2-ylsulfanium; trifluoromethanesulfonate Traditional Name: 1-[2-(9-anthryl)benzyl]butylsulfonium triflate Formula: C26H25F3O3S2 MolecularWeight: 506.60011

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1C2=C3C=CC=CC3=CC4=CC=CC=C42)[SH2+].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC(CC1=CC=CC=C1C2=C3C=CC=CC3=CC4=CC=CC=C42)[SH2+].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H24S.CHF3O3S/c1-2-9-21(26)17-20-12-5-8-15-24(20)25-22-13-6-3-10-18(22)16-19-11-4-7-14-23(19)25;2-1(3,4)8(5,6)7/h3-8,10-16,21,26H,2,9,17H2,1H3;(H,5,6,7)