1-(3-anthracen-9-ylphenyl)pentan-2-ylsulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(3-anthracen-9-ylphenyl)pentan-2-ylsulfanium; tris(fluoranyl)methanesulfonate Openeye Name: 1-[[3-(9-anthryl)phenyl]methyl]butylsulfonium; trifluoromethanesulfonate CAS Name: 1-[3-(9-anthracenyl)phenyl]pentan-2-ylsulfonium; trifluoromethanesulfonate IUPAC Name: 1-(3-anthracen-9-ylphenyl)pentan-2-ylsulfanium; trifluoromethanesulfonate Traditional Name: 1-[3-(9-anthryl)benzyl]butylsulfonium triflate Formula: C26H25F3O3S2 MolecularWeight: 506.60011

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC(=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42)[SH2+].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC(CC1=CC=CC(=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42)[SH2+].C(F)(F)(F)S(=O)(=O)[O-]

InChI

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