1-hexyl-4-(2-phenylsulfanylethynyl)benzene pentafluoride

Systemtic Name: 1-hexyl-4-(2-phenylsulfanylethynyl)benzene pentafluoride Openeye Name: 1-hexyl-4-(2-phenylsulfanylethynyl)benzene pentafluoride CAS Name: 1-hexyl-4-[2-(phenylthio)ethynyl]benzene pentafluoride IUPAC Name: 1-hexyl-4-(2-phenylsulfanylethynyl)benzene pentafluoride Traditional Name: 1-hexyl-4-[2-(phenylthio)ethynyl]benzene pentafluoride Formula: C20H22F5S-5 MolecularWeight: 389.445696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C20H22S.5FH/c1-2-3-4-6-9-18-12-14-19(15-13-18)16-17-21-20-10-7-5-8-11-20;;;;;/h5,7-8,10-15H,2-4,6,9H2,1H3;5*1H/p-5