1-(4-heptylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene pentafluoride

Systemtic Name: 1-(4-heptylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene pentafluoride Openeye Name: 1-(4-heptylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene pentafluoride CAS Name: benzenesulfenic acid [4-(4-heptylcyclohexyl)phenyl]methyl ester pentafluoride IUPAC Name: 1-(4-heptylcyclohexyl)-4-(phenylsulfanyloxymethyl)benzene pentafluoride Traditional Name: 1-(4-heptylcyclohexyl)-4-[(phenylthio)oxymethyl]benzene pentafluoride Formula: C26H36F5OS-5 MolecularWeight: 491.620456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)COSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)COSC3=CC=CC=C3.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C26H36OS.5FH/c1-2-3-4-5-7-10-22-13-17-24(18-14-22)25-19-15-23(16-20-25)21-27-28-26-11-8-6-9-12-26;;;;;/h6,8-9,11-12,15-16,19-20,22,24H,2-5,7,10,13-14,17-18,21H2,1H3;5*1H/p-5