2,3-bis(fluoranyl)-4-[[4-(4-octoxyphenyl)phenyl]methoxy]benzenecarbonitrile

Systemtic Name: 2,3-bis(fluoranyl)-4-[[4-(4-octoxyphenyl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 2,3-difluoro-4-[[4-(4-octoxyphenyl)phenyl]methoxy]benzonitrile CAS Name: 2,3-difluoro-4-[[4-(4-octoxyphenyl)phenyl]methoxy]benzonitrile IUPAC Name: 2,3-difluoro-4-[[4-(4-octoxyphenyl)phenyl]methoxy]benzonitrile Traditional Name: 2,3-difluoro-4-[4-(4-octoxyphenyl)benzyl]oxy-benzonitrile Formula: C28H29F2NO2 MolecularWeight: 449.532166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C28H29F2NO2/c1-2-3-4-5-6-7-18-32-25-15-12-23(13-16-25)22-10-8-21(9-11-22)20-33-26-17-14-24(19-31)27(29)28(26)30/h8-17H,2-7,18,20H2,1H3