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

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

CCCCCCCC1CC2=C(CC1F)C3=C(C=C2)C=C(C=C3)C4=CC(=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCC1CC2=C(CC1F)C3=C(C=C2)C=C(C=C3)C4=CC(=C(C=C4)C#N)F

InChI

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