2,6-bis(fluoranyl)-3-(1-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 2,6-bis(fluoranyl)-3-(1-fluoranyl-7-heptyl-phenanthren-2-yl)benzenecarbonitrile Openeye Name: 2,6-difluoro-3-(1-fluoro-7-heptyl-2-phenanthryl)benzonitrile CAS Name: 2,6-difluoro-3-(1-fluoro-7-heptyl-2-phenanthrenyl)benzonitrile IUPAC Name: 2,6-difluoro-3-(1-fluoro-7-heptylphenanthren-2-yl)benzonitrile Traditional Name: 2,6-difluoro-3-(1-fluoro-7-heptyl-2-phenanthryl)benzonitrile Formula: C28H24F3N MolecularWeight: 431.49207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)C4=C(C(=C(C=C4)F)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3)C4=C(C(=C(C=C4)F)C#N)F)F

InChI

InChI=1S/C28H24F3N/c1-2-3-4-5-6-7-18-8-10-20-19(16-18)9-11-22-21(20)12-13-23(27(22)30)24-14-15-26(29)25(17-32)28(24)31/h8-16H,2-7H2,1H3