4-(6-fluoranyl-7-heptyl-9,10-dihydrophenanthren-2-yl)benzenecarbonitrile

Systemtic Name: 4-(6-fluoranyl-7-heptyl-9,10-dihydrophenanthren-2-yl)benzenecarbonitrile Openeye Name: 4-(6-fluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)benzonitrile CAS Name: 4-(6-fluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)benzonitrile IUPAC Name: 4-(6-fluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)benzonitrile Traditional Name: 4-(6-fluoro-7-heptyl-9,10-dihydrophenanthren-2-yl)benzonitrile Formula: C28H28FN MolecularWeight: 397.527023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C2C(=C1)CCC3=C2C=CC(=C3)C4=CC=C(C=C4)C#N)F

Isomeric SMILES

CCCCCCCC1=C(C=C2C(=C1)CCC3=C2C=CC(=C3)C4=CC=C(C=C4)C#N)F

InChI

InChI=1S/C28H28FN/c1-2-3-4-5-6-7-25-17-24-13-12-23-16-22(21-10-8-20(19-30)9-11-21)14-15-26(23)27(24)18-28(25)29/h8-11,14-18H,2-7,12-13H2,1H3