1-butyl-4-(4-phenylsulfanylcyclohex-3-en-1-yl)benzene pentafluoride

Systemtic Name: 1-butyl-4-(4-phenylsulfanylcyclohex-3-en-1-yl)benzene pentafluoride Openeye Name: 1-butyl-4-(4-phenylsulfanylcyclohex-3-en-1-yl)benzene pentafluoride CAS Name: 1-butyl-4-[4-(phenylthio)-1-cyclohex-3-enyl]benzene pentafluoride IUPAC Name: 1-butyl-4-(4-phenylsulfanylcyclohex-3-en-1-yl)benzene pentafluoride Traditional Name: 1-butyl-4-[4-(phenylthio)cyclohex-3-en-1-yl]benzene pentafluoride Formula: C22H26F5S-5 MolecularWeight: 417.498856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(=CC2)SC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(=CC2)SC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C22H26S.5FH/c1-2-3-7-18-10-12-19(13-11-18)20-14-16-22(17-15-20)23-21-8-5-4-6-9-21;;;;;/h4-6,8-13,16,20H,2-3,7,14-15,17H2,1H3;5*1H/p-5