1-octoxy-4-(phenylsulfanyloxymethyl)benzene pentafluoride

Systemtic Name: 1-octoxy-4-(phenylsulfanyloxymethyl)benzene pentafluoride Openeye Name: 1-octoxy-4-(phenylsulfanyloxymethyl)benzene pentafluoride CAS Name: benzenesulfenic acid (4-octoxyphenyl)methyl ester pentafluoride IUPAC Name: 1-octoxy-4-(phenylsulfanyloxymethyl)benzene pentafluoride Traditional Name: 1-octoxy-4-[(phenylthio)oxymethyl]benzene pentafluoride Formula: C21H28F5O2S-5 MolecularWeight: 439.502836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)COSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)COSC2=CC=CC=C2.[F-].[F-].[F-].[F-].[F-]

InChI

InChI=1S/C21H28O2S.5FH/c1-2-3-4-5-6-10-17-22-20-15-13-19(14-16-20)18-23-24-21-11-8-7-9-12-21;;;;;/h7-9,11-16H,2-6,10,17-18H2,1H3;5*1H/p-5