4-[1,3-bis(fluoranyl)-7-heptyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[1,3-bis(fluoranyl)-7-heptyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(1,3-difluoro-7-heptyl-2-phenanthryl)-2-fluoro-benzonitrile CAS Name: 4-(1,3-difluoro-7-heptyl-2-phenanthrenyl)-2-fluorobenzonitrile IUPAC Name: 4-(1,3-difluoro-7-heptylphenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 4-(1,3-difluoro-7-heptyl-2-phenanthryl)-2-fluoro-benzonitrile Formula: C28H24F3N MolecularWeight: 431.49207

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC(=C(C=C4)C#N)F)F

InChI

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