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

Systemtic Name: 1-heptoxy-4-(2-phenylsulfanylethynyl)benzene pentafluoride Openeye Name: 1-heptoxy-4-(2-phenylsulfanylethynyl)benzene pentafluoride CAS Name: 1-heptoxy-4-[2-(phenylthio)ethynyl]benzene pentafluoride IUPAC Name: 1-heptoxy-4-(2-phenylsulfanylethynyl)benzene pentafluoride Traditional Name: 1-heptoxy-4-[2-(phenylthio)ethynyl]benzene pentafluoride Formula: C21H24F5OS-5 MolecularWeight: 419.471676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C#CSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C#CSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C21H24OS.5FH/c1-2-3-4-5-9-17-22-20-14-12-19(13-15-20)16-18-23-21-10-7-6-8-11-21;;;;;/h6-8,10-15H,2-5,9,17H2,1H3;5*1H/p-5