2-(4-octylcyclohexyl)ethynylsulfanylbenzene pentafluoride

Systemtic Name: 2-(4-octylcyclohexyl)ethynylsulfanylbenzene pentafluoride Openeye Name: 2-(4-octylcyclohexyl)ethynylsulfanylbenzene pentafluoride CAS Name: [2-(4-octylcyclohexyl)ethynylthio]benzene pentafluoride IUPAC Name: 2-(4-octylcyclohexyl)ethynylsulfanylbenzene pentafluoride Traditional Name: [2-(4-octylcyclohexyl)ethynylthio]benzene pentafluoride Formula: C22H32F5S-5 MolecularWeight: 423.546496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(CC1)C#CSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCCC1CCC(CC1)C#CSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C22H32S.5FH/c1-2-3-4-5-6-8-11-20-14-16-21(17-15-20)18-19-23-22-12-9-7-10-13-22;;;;;/h7,9-10,12-13,20-21H,2-6,8,11,14-17H2,1H3;5*1H/p-5