2-fluoranyl-4-(8-fluoranyl-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 2-fluoranyl-4-(8-fluoranyl-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzenecarbonitrile Openeye Name: 2-fluoro-4-(8-fluoro-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile CAS Name: 2-fluoro-4-(8-fluoro-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile IUPAC Name: 2-fluoro-4-(8-fluoro-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile Traditional Name: 2-fluoro-4-(8-fluoro-7-heptyl-5,6,7,8-tetrahydrophenanthren-2-yl)benzonitrile Formula: C28H29F2N MolecularWeight: 417.533366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC2=C(C1F)C=CC3=C2C=CC(=C3)C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCC1CCC2=C(C1F)C=CC3=C2C=CC(=C3)C4=CC(=C(C=C4)C#N)F

InChI

InChI=1S/C28H29F2N/c1-2-3-4-5-6-7-19-10-14-25-24-13-11-20(16-22(24)12-15-26(25)28(19)30)21-8-9-23(18-31)27(29)17-21/h8-9,11-13,15-17,19,28H,2-7,10,14H2,1H3