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

Systemtic Name: 1-heptyl-4-(4-phenylsulfanylcyclohex-3-en-1-yl)benzene pentafluoride Openeye Name: 1-heptyl-4-(4-phenylsulfanylcyclohex-3-en-1-yl)benzene pentafluoride CAS Name: 1-heptyl-4-[4-(phenylthio)-1-cyclohex-3-enyl]benzene pentafluoride IUPAC Name: 1-heptyl-4-(4-phenylsulfanylcyclohex-3-en-1-yl)benzene pentafluoride Traditional Name: 1-heptyl-4-[4-(phenylthio)cyclohex-3-en-1-yl]benzene pentafluoride Formula: C25H32F5S-5 MolecularWeight: 459.578596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(=CC2)SC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(=CC2)SC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C25H32S.5FH/c1-2-3-4-5-7-10-21-13-15-22(16-14-21)23-17-19-25(20-18-23)26-24-11-8-6-9-12-24;;;;;/h6,8-9,11-16,19,23H,2-5,7,10,17-18,20H2,1H3;5*1H/p-5