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

Systemtic Name: 3-[1,3-bis(fluoranyl)-7-heptyl-phenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 3-(1,3-difluoro-7-heptyl-2-phenanthryl)-2-fluoro-benzonitrile CAS Name: 3-(1,3-difluoro-7-heptyl-2-phenanthrenyl)-2-fluorobenzonitrile IUPAC Name: 3-(1,3-difluoro-7-heptylphenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 3-(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=CC(=C4F)C#N)F

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C3=CC(=C(C(=C3C=C2)F)C4=CC=CC(=C4F)C#N)F

InChI

InChI=1S/C28H24F3N/c1-2-3-4-5-6-8-18-11-13-21-19(15-18)12-14-22-24(21)16-25(29)26(28(22)31)23-10-7-9-20(17-32)27(23)30/h7,9-16H,2-6,8H2,1H3