4-[6,8-bis(fluoranyl)-7-heptyl-9,10-dihydrophenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[6,8-bis(fluoranyl)-7-heptyl-9,10-dihydrophenanthren-2-yl]-2-fluoranyl-benzenecarbonitrile Openeye Name: 4-(6,8-difluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)-2-fluoro-benzonitrile CAS Name: 4-(6,8-difluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)-2-fluorobenzonitrile IUPAC Name: 4-(6,8-difluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)-2-fluorobenzonitrile Traditional Name: 4-(6,8-difluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)-2-fluoro-benzonitrile Formula: C28H26F3N MolecularWeight: 433.50795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C2C(=C1F)CCC3=C2C=CC(=C3)C4=CC(=C(C=C4)C#N)F)F

Isomeric SMILES

CCCCCCCC1=C(C=C2C(=C1F)CCC3=C2C=CC(=C3)C4=CC(=C(C=C4)C#N)F)F

InChI

InChI=1S/C28H26F3N/c1-2-3-4-5-6-7-24-27(30)16-25-22-12-10-18(14-20(22)11-13-23(25)28(24)31)19-8-9-21(17-32)26(29)15-19/h8-10,12,14-16H,2-7,11,13H2,1H3