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

Systemtic Name: 2,3-bis(fluoranyl)-4-[[4-(4-heptoxyphenyl)phenyl]methoxy]benzenecarbonitrile Openeye Name: 2,3-difluoro-4-[[4-(4-heptoxyphenyl)phenyl]methoxy]benzonitrile CAS Name: 2,3-difluoro-4-[[4-(4-heptoxyphenyl)phenyl]methoxy]benzonitrile IUPAC Name: 2,3-difluoro-4-[[4-(4-heptoxyphenyl)phenyl]methoxy]benzonitrile Traditional Name: 2,3-difluoro-4-[4-(4-heptoxyphenyl)benzyl]oxy-benzonitrile Formula: C27H27F2NO2 MolecularWeight: 435.505586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C27H27F2NO2/c1-2-3-4-5-6-17-31-24-14-11-22(12-15-24)21-9-7-20(8-10-21)19-32-25-16-13-23(18-30)26(28)27(25)29/h7-16H,2-6,17,19H2,1H3